Chemoinformaics analysis of Benzophenone
Molecular Weight | 182.222 | nRot | 2 |
Heavy Atom Molecular Weight | 172.142 | nRig | 13 |
Exact Molecular Weight | 182.073 | nRing | 2 |
Solubility: LogS | -3.181 | nHRing | 0 |
Solubility: LogP | 3.073 | 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 | 14 | No. of Aromatic Carbocycles | 2 |
nHetero | 1 | 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 | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 1 | No. of Arom Bond | 12 |
nHA | 1 | APOL | 29.1799 |
nHD | 0 | BPOL | 10.9001 |
QED | 0.652 |
Synth | 1.154 |
Natural Product Likeliness | -0.31 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.052 |
Pgp-sub | 0.002 |
HIA | 0.005 |
CACO-2 | -4.334 |
MDCK | 0.0000176 |
BBB | 0.233 |
PPB | 0.980546 |
VDSS | 0.658 |
FU | 0.0167394 |
CYP1A2-inh | 0.988 |
CYP1A2-sub | 0.322 |
CYP2c19-inh | 0.853 |
CYP2c19-sub | 0.113 |
CYP2c9-inh | 0.693 |
CYP2c9-sub | 0.267 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.086 |
CYP3a4-inh | 0.023 |
CYP3a4-sub | 0.243 |
CL | 1.416 |
T12 | 0.665 |
hERG | 0.098 |
Ames | 0.042 |
ROA | 0.045 |
SkinSen | 0.254 |
Carcinogencity | 0.739 |
EI | 0.982 |
Respiratory | 0.086 |
NR-Aromatase | 0.027 |
Antiviral | No |
Prediction | 0.632211 |