Chemoinformaics analysis of Gibberellin A20
Molecular Weight | 332.396 | nRot | 1 |
Heavy Atom Molecular Weight | 308.204 | nRig | 24 |
Exact Molecular Weight | 332.162 | nRing | 5 |
Solubility: LogS | -3.643 | nHRing | 1 |
Solubility: LogP | 1.604 | No. of Aliphatic Rings | 5 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 48 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | 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 | 5 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 51.743 |
nHD | 2 | BPOL | 27.549 |
QED | 0.568 |
Synth | 6.322 |
Natural Product Likeliness | 3.585 |
NR-PPAR-gamma | 0.822 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0 |
HIA | 0.049 |
CACO-2 | -5.653 |
MDCK | 0.0000201 |
BBB | 0.618 |
PPB | 0.521716 |
VDSS | 0.286 |
FU | 0.437121 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.891 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.651 |
CYP2c9-inh | 0.025 |
CYP2c9-sub | 0.218 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.137 |
CYP3a4-inh | 0.135 |
CYP3a4-sub | 0.035 |
CL | 5.328 |
T12 | 0.125 |
hERG | 0.01 |
Ames | 0.031 |
ROA | 0.896 |
SkinSen | 0.01 |
Carcinogencity | 0.621 |
EI | 0.052 |
Respiratory | 0.941 |
NR-Aromatase | 0.848 |
Antiviral | Yes |
Prediction | 0.61696 |