Chemoinformaics analysis of Triphenylphosphine
Molecular Weight | 262.292 | nRot | 3 |
Heavy Atom Molecular Weight | 247.172 | nRig | 18 |
Exact Molecular Weight | 262.091 | nRing | 3 |
Solubility: LogS | -5.776 | nHRing | 0 |
Solubility: LogP | 5.515 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 3 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 18 |
No. of Oxygen atom | 0 | No. of Arom Bond | 18 |
nHA | 0 | APOL | 43.6919 |
nHD | 0 | BPOL | 20.9281 |
QED | 0.634 |
Synth | 1.654 |
Natural Product Likeliness | -0.009 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 1 |
HIA | 0.013 |
CACO-2 | -4.347 |
MDCK | 0.0000925 |
BBB | 0.706 |
PPB | 0.985135 |
VDSS | 0.476 |
FU | 0.0163064 |
CYP1A2-inh | 0.759 |
CYP1A2-sub | 0.216 |
CYP2c19-inh | 0.024 |
CYP2c19-sub | 0.3 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.042 |
CYP2d6-inh | 0.02 |
CYP2d6-sub | 0.077 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.281 |
CL | 0.771 |
T12 | 0.218 |
hERG | 0.038 |
Ames | 0.016 |
ROA | 0.1 |
SkinSen | 0.692 |
Carcinogencity | 0.017 |
EI | 0.996 |
Respiratory | 0.009 |
NR-Aromatase | 0.013 |
Antiviral | No |
Prediction | 0.666447 |