Compound prediction

Prediction with model Rat toxicity prediction with Predictive Clustering Trees

CC(C)C1CCC(C)CC1OC(=O)c1ccccc1N

Inchi: InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3
2D-depiction3D-depiction
spin ON OFF
Compound is not included in the training dataset
Checking if compound is within applicability domain of the complete dataset: inside (99.4%)

The compound was assigned to a category of 19 compounds.

endpointapplicability domainpredicted activity (with confidence)prediction correct
adrenal-gland-weight-increasedinside (99.3%)active (low confidence: 5.3%)60.1%
body-weight-decreasedinside (95.9%)active (medium confidence: 47.4%)60.9%
bone-marrowinside (83%)inactive (high confidence: 68.4%)65.5%
braininside (89.8%)inactive (medium confidence: 36.8%)63%
clinchem-hepatotoxinside (99.2%)active (high confidence: 100%)67.5%
clinchem-nephrotoxinside (99.5%)inactive (medium confidence: 47.4%)54.5%
cnsinside (98.4%)active (medium confidence: 47.4%)52%
female-reproductive-organinside (98.3%)active (medium confidence: 57.9%)53.4%
haematology-anaemiainside (99%)active (low confidence: 26.3%)56.8%
haematology-cellular-hemostasisinside (99.5%)active (high confidence: 68.4%)62.9%
haematology-plasmatic-hemostasisinside (100%)active (high confidence: 100%)71.1%
haematopoiesisinside (93.3%)inactive (low confidence: 26.3%)34.3%
intestineinside (100%)active (high confidence: 78.9%)74.3%
kidneyinside (98.7%)inactive (low confidence: 5.3%)52.4%
kidney-weight-increasedinside (98.7%)active (medium confidence: 47.4%)54.2%
liverinside (99%)active (medium confidence: 57.9%)65.2%
liver-weight-increasedinside (99.2%)active (medium confidence: 47.4%)63.6%
male-accessory-glandinside (98.3%)inactive (low confidence: 26.3%)57.5%
male-reproductive-organinside (96.7%)active (high confidence: 89.5%)48.7%
male-reproductive-organ-sperminside (82.4%)inactive (high confidence: 100%)65.3%
male-reproductive-organ-weight-decreasedinside (96.4%)active (low confidence: 26.3%)44.2%
male-reproductive-organ-weight-increasedinside (97.2%)inactive (high confidence: 68.4%)70.3%
rbcinside (99.1%)active (medium confidence: 57.9%)55.9%
spleeninside (99.1%)inactive (medium confidence: 47.4%)55.5%
thymusinside (94.7%)inactive (high confidence: 68.4%)68.6%
thymus-weight-decreasedinside (94.1%)inactive (medium confidence: 36.8%)40.4%
thyroid-glandinside (97.6%)active (high confidence: 100%)73%
wbcinside (99.2%)active (medium confidence: 57.9%)57.1%