Chemoinformaics analysis of DIPHENYLAMINE
Molecular Weight | 169.227 | nRot | 2 |
Heavy Atom Molecular Weight | 158.139 | nRig | 12 |
Exact Molecular Weight | 169.089 | nRing | 2 |
Solubility: LogS | -3.898 | nHRing | 0 |
Solubility: LogP | 3.63 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 2 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 0 | No. of Arom Bond | 12 |
nHA | 1 | APOL | 28.4747 |
nHD | 1 | BPOL | 11.6053 |
QED | 0.726 |
Synth | 1.084 |
Natural Product Likeliness | -0.658 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.041 |
HIA | 0.036 |
CACO-2 | -4.293 |
MDCK | 0.0000181 |
BBB | 0.564 |
PPB | 0.954935 |
VDSS | 4.538 |
FU | 0.0378393 |
CYP1A2-inh | 0.991 |
CYP1A2-sub | 0.458 |
CYP2c19-inh | 0.831 |
CYP2c19-sub | 0.205 |
CYP2c9-inh | 0.388 |
CYP2c9-sub | 0.144 |
CYP2d6-inh | 0.439 |
CYP2d6-sub | 0.218 |
CYP3a4-inh | 0.058 |
CYP3a4-sub | 0.283 |
CL | 9.089 |
T12 | 0.659 |
hERG | 0.092 |
Ames | 0.043 |
ROA | 0.154 |
SkinSen | 0.947 |
Carcinogencity | 0.361 |
EI | 0.986 |
Respiratory | 0.386 |
NR-Aromatase | 0.788 |
Antiviral | No |
Prediction | 0.667298 |