Chemoinformaics analysis of Gibberellin
Molecular Weight | 346.379 | nRot | 1 |
Heavy Atom Molecular Weight | 324.203 | nRig | 24 |
Exact Molecular Weight | 346.142 | nRing | 5 |
Solubility: LogS | -2.973 | nHRing | 1 |
Solubility: LogP | 0.558 | No. of Aliphatic Rings | 5 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 47 | 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 | 3 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 19 | 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 | 5 | APOL | 51.2114 |
nHD | 3 | BPOL | 25.5426 |
QED | 0.484 |
Synth | 6.69 |
Natural Product Likeliness | 3.652 |
NR-PPAR-gamma | 0.476 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.629 |
CACO-2 | -5.878 |
MDCK | 0.0000212 |
BBB | 0.535 |
PPB | 0.369225 |
VDSS | 0.303 |
FU | 0.543863 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.9 |
CYP2c19-inh | 0.009 |
CYP2c19-sub | 0.501 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.191 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.129 |
CYP3a4-inh | 0.147 |
CYP3a4-sub | 0.037 |
CL | 1.843 |
T12 | 0.114 |
hERG | 0.014 |
Ames | 0.015 |
ROA | 0.893 |
SkinSen | 0.008 |
Carcinogencity | 0.391 |
EI | 0.017 |
Respiratory | 0.964 |
NR-Aromatase | 0.075 |
Antiviral | Yes |
Prediction | 0.556072 |