Chemoinformaics analysis of 2-phenyL-2- (phenylmethyl)-
Molecular Weight | 334.419 | nRot | 3 |
Heavy Atom Molecular Weight | 312.243 | nRig | 25 |
Exact Molecular Weight | 334.168 | nRing | 4 |
Solubility: LogS | -3.654 | nHRing | 2 |
Solubility: LogP | 2.508 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 21 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 12 |
No. of Oxygen atom | 2 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 53.5434 |
nHD | 0 | BPOL | 27.2266 |
QED | 0.809 |
Synth | 2.502 |
Natural Product Likeliness | -0.943 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.985 |
Pgp-sub | 0.057 |
HIA | 0.072 |
CACO-2 | -5.086 |
MDCK | 0.0000207 |
BBB | 0.937 |
PPB | 0.877105 |
VDSS | 1.583 |
FU | 0.184907 |
CYP1A2-inh | 0.082 |
CYP1A2-sub | 0.58 |
CYP2c19-inh | 0.318 |
CYP2c19-sub | 0.837 |
CYP2c9-inh | 0.077 |
CYP2c9-sub | 0.049 |
CYP2d6-inh | 0.702 |
CYP2d6-sub | 0.38 |
CYP3a4-inh | 0.07 |
CYP3a4-sub | 0.907 |
CL | 5.617 |
T12 | 0.111 |
hERG | 0.356 |
Ames | 0.135 |
ROA | 0.532 |
SkinSen | 0.186 |
Carcinogencity | 0.355 |
EI | 0.009 |
Respiratory | 0.558 |
NR-Aromatase | 0.013 |
Antiviral | No |
Prediction | 0.677796 |