Chemoinformaics analysis of 1,1-Biphenyl
Molecular Weight | 154.212 | nRot | 1 |
Heavy Atom Molecular Weight | 144.132 | nRig | 12 |
Exact Molecular Weight | 154.078 | nRing | 2 |
Solubility: LogS | -4.459 | nHRing | 0 |
Solubility: LogP | 3.849 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 22 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 2 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 0 | No. of Arom Bond | 12 |
nHA | 0 | APOL | 26.7079 |
nHD | 0 | BPOL | 10.0321 |
QED | 0.591 |
Synth | 1 |
Natural Product Likeliness | -0.297 |
NR-PPAR-gamma | 0.022 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.006 |
Pgp-sub | 0.309 |
HIA | 0.003 |
CACO-2 | -4.245 |
MDCK | 0.0000214 |
BBB | 0.382 |
PPB | 0.972977 |
VDSS | 1.011 |
FU | 0.0316394 |
CYP1A2-inh | 0.993 |
CYP1A2-sub | 0.368 |
CYP2c19-inh | 0.808 |
CYP2c19-sub | 0.068 |
CYP2c9-inh | 0.435 |
CYP2c9-sub | 0.277 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.141 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.255 |
CL | 8.018 |
T12 | 0.357 |
hERG | 0.099 |
Ames | 0.594 |
ROA | 0.157 |
SkinSen | 0.676 |
Carcinogencity | 0.762 |
EI | 0.992 |
Respiratory | 0.064 |
NR-Aromatase | 0.009 |
Antiviral | No |
Prediction | 0.654419 |