Chemoinformaics analysis of Gibberellin A8
Molecular Weight | 364.394 | nRot | 1 |
Heavy Atom Molecular Weight | 340.202 | nRig | 24 |
Exact Molecular Weight | 364.152 | nRing | 5 |
Solubility: LogS | -2.62 | nHRing | 1 |
Solubility: LogP | -0.133 | No. of Aliphatic Rings | 5 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 4 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 19 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 53.347 |
nHD | 4 | BPOL | 27.549 |
QED | 0.388 |
Synth | 6.669 |
Natural Product Likeliness | 3.603 |
NR-PPAR-gamma | 0.445 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.063 |
HIA | 0.843 |
CACO-2 | -5.979 |
MDCK | 0.000101945 |
BBB | 0.156 |
PPB | 0.392463 |
VDSS | 0.286 |
FU | 0.509247 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.877 |
CYP2c19-inh | 0.005 |
CYP2c19-sub | 0.448 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.137 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.121 |
CYP3a4-inh | 0.061 |
CYP3a4-sub | 0.016 |
CL | 1.828 |
T12 | 0.186 |
hERG | 0.009 |
Ames | 0.032 |
ROA | 0.917 |
SkinSen | 0.008 |
Carcinogencity | 0.148 |
EI | 0.01 |
Respiratory | 0.896 |
NR-Aromatase | 0.2 |
Antiviral | Yes |
Prediction | 0.593471 |