Chemoinformaics analysis of Germanicol
Molecular Weight | 426.729 | nRot | 0 |
Heavy Atom Molecular Weight | 376.329 | nRig | 26 |
Exact Molecular Weight | 426.386 | nRing | 5 |
Solubility: LogS | -6.182 | nHRing | 0 |
Solubility: LogP | 7.637 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 81 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 30 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 84.2417 |
nHD | 1 | BPOL | 50.1604 |
QED | 0.387 |
Synth | 4.703 |
Natural Product Likeliness | 2.949 |
NR-PPAR-gamma | 0.172 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.095 |
Pgp-sub | 0 |
HIA | 0.05 |
CACO-2 | -5.1 |
MDCK | 0.00000669 |
BBB | 0.685 |
PPB | 0.996504 |
VDSS | 1.49 |
FU | 0.0248447 |
CYP1A2-inh | 0.023 |
CYP1A2-sub | 0.446 |
CYP2c19-inh | 0.056 |
CYP2c19-sub | 0.968 |
CYP2c9-inh | 0.075 |
CYP2c9-sub | 0.478 |
CYP2d6-inh | 0.115 |
CYP2d6-sub | 0.78 |
CYP3a4-inh | 0.185 |
CYP3a4-sub | 0.537 |
CL | 10.085 |
T12 | 0.009 |
hERG | 0.005 |
Ames | 0.013 |
ROA | 0.102 |
SkinSen | 0.032 |
Carcinogencity | 0.012 |
EI | 0.433 |
Respiratory | 0.973 |
NR-Aromatase | 0.649 |
Antiviral | No |
Prediction | 0.722711 |