Chemoinformaics analysis of Gibberellin A53
Molecular Weight | 348.439 | nRot | 2 |
Heavy Atom Molecular Weight | 320.215 | nRig | 21 |
Exact Molecular Weight | 348.194 | nRing | 4 |
Solubility: LogS | -3.403 | nHRing | 0 |
Solubility: LogP | 2.117 | No. of Aliphatic Rings | 4 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 53 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 28 | 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 | 5 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 56.0802 |
nHD | 3 | BPOL | 29.8258 |
QED | 0.667 |
Synth | 5.813 |
Natural Product Likeliness | 3.238 |
NR-PPAR-gamma | 0.447 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.03 |
CACO-2 | -5.955 |
MDCK | 0.000015 |
BBB | 0.395 |
PPB | 0.569316 |
VDSS | 0.304 |
FU | 0.313937 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.813 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.577 |
CYP2c9-inh | 0.036 |
CYP2c9-sub | 0.133 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.114 |
CYP3a4-inh | 0.07 |
CYP3a4-sub | 0.016 |
CL | 0.973 |
T12 | 0.279 |
hERG | 0.002 |
Ames | 0.015 |
ROA | 0.432 |
SkinSen | 0.009 |
Carcinogencity | 0.087 |
EI | 0.137 |
Respiratory | 0.902 |
NR-Aromatase | 0.096 |
Antiviral | Yes |
Prediction | 0.611125 |