Chemoinformaics analysis of Gibberellin A1
Molecular Weight | 348.395 | nRot | 1 |
Heavy Atom Molecular Weight | 324.203 | nRig | 24 |
Exact Molecular Weight | 348.157 | nRing | 5 |
Solubility: LogS | -3.155 | nHRing | 1 |
Solubility: LogP | 0.63 | No. of Aliphatic Rings | 5 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | 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 | 6 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 52.545 |
nHD | 3 | BPOL | 27.549 |
QED | 0.487 |
Synth | 6.433 |
Natural Product Likeliness | 3.675 |
NR-PPAR-gamma | 0.743 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.009 |
HIA | 0.545 |
CACO-2 | -5.867 |
MDCK | 0.0000129 |
BBB | 0.505 |
PPB | 0.379674 |
VDSS | 0.292 |
FU | 0.526501 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.867 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.48 |
CYP2c9-inh | 0.011 |
CYP2c9-sub | 0.16 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.131 |
CYP3a4-inh | 0.085 |
CYP3a4-sub | 0.027 |
CL | 2.809 |
T12 | 0.141 |
hERG | 0.011 |
Ames | 0.026 |
ROA | 0.884 |
SkinSen | 0.01 |
Carcinogencity | 0.35 |
EI | 0.024 |
Respiratory | 0.947 |
NR-Aromatase | 0.527 |
Antiviral | Yes |
Prediction | 0.5668 |