Chemoinformaics analysis of Gibberellin A19
Molecular Weight | 362.422 | nRot | 3 |
Heavy Atom Molecular Weight | 336.214 | nRig | 2 |
Exact Molecular Weight | 362.173 | nRing | 4 |
Solubility: LogS | -0.257 | nHRing | 0 |
Solubility: LogP | -1.68 | No. of Aliphatic Rings | 4 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 52 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 55.5486 |
nHD | 3 | BPOL | 28.6874 |
QED | 0.288 |
Synth | 2.861 |
Natural Product Likeliness | 0.688 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.023 |
HIA | 0.561 |
CACO-2 | -5.982 |
MDCK | 0.00608576 |
BBB | 0.544 |
PPB | 0.151448 |
VDSS | 0.201 |
FU | 0.756414 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.054 |
CYP2c19-inh | 0.028 |
CYP2c19-sub | 0.052 |
CYP2c9-inh | 0.011 |
CYP2c9-sub | 0.188 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.143 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.023 |
CL | 2.004 |
T12 | 0.842 |
hERG | 0.012 |
Ames | 0.026 |
ROA | 0.022 |
SkinSen | 0.622 |
Carcinogencity | 0.006 |
EI | 0.993 |
Respiratory | 0.445 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.535491 |