Chemoinformaics analysis of Robustic acid
Molecular Weight | 220.312 | nRot | 8 |
Heavy Atom Molecular Weight | 200.152 | nRig | 2 |
Exact Molecular Weight | 220.146 | nRing | 0 |
Solubility: LogS | -2.699 | nHRing | 0 |
Solubility: LogP | 3.08 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 38.3199 |
nHD | 2 | BPOL | 20.0641 |
QED | 0.478 |
Synth | 2.369 |
Natural Product Likeliness | 1.437 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.008 |
Pgp-sub | 0.001 |
HIA | 0.002 |
CACO-2 | -4.206 |
MDCK | 0.0000273 |
BBB | 0.265 |
PPB | 0.871926 |
VDSS | 0.977 |
FU | 0.159564 |
CYP1A2-inh | 0.966 |
CYP1A2-sub | 0.816 |
CYP2c19-inh | 0.891 |
CYP2c19-sub | 0.833 |
CYP2c9-inh | 0.796 |
CYP2c9-sub | 0.554 |
CYP2d6-inh | 0.261 |
CYP2d6-sub | 0.12 |
CYP3a4-inh | 0.194 |
CYP3a4-sub | 0.282 |
CL | 11.15 |
T12 | 0.709 |
hERG | 0.023 |
Ames | 0.009 |
ROA | 0.013 |
SkinSen | 0.816 |
Carcinogencity | 0.146 |
EI | 0.992 |
Respiratory | 0.477 |
NR-Aromatase | 0.008 |
Antiviral | Yes |
Prediction | 0.663867 |