Chemoinformaics analysis of Balanophonin A
Molecular Weight | 374.389 | nRot | 9 |
Heavy Atom Molecular Weight | 352.213 | nRig | 14 |
Exact Molecular Weight | 374.137 | nRing | 2 |
Solubility: LogS | -3.254 | nHRing | 0 |
Solubility: LogP | 1.679 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 7 | APOL | 53.6834 |
nHD | 3 | BPOL | 28.1466 |
QED | 0.456 |
Synth | 3.273 |
Natural Product Likeliness | 1.116 |
NR-PPAR-gamma | 0.121 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.01 |
Pgp-sub | 0.01 |
HIA | 0.257 |
CACO-2 | -5.188 |
MDCK | 0.00000772 |
BBB | 0.818 |
PPB | 0.945043 |
VDSS | 0.912 |
FU | 0.0573578 |
CYP1A2-inh | 0.061 |
CYP1A2-sub | 0.434 |
CYP2c19-inh | 0.046 |
CYP2c19-sub | 0.713 |
CYP2c9-inh | 0.05 |
CYP2c9-sub | 0.836 |
CYP2d6-inh | 0.016 |
CYP2d6-sub | 0.881 |
CYP3a4-inh | 0.146 |
CYP3a4-sub | 0.622 |
CL | 7.358 |
T12 | 0.746 |
hERG | 0.075 |
Ames | 0.532 |
ROA | 0.466 |
SkinSen | 0.821 |
Carcinogencity | 0.785 |
EI | 0.033 |
Respiratory | 0.931 |
NR-Aromatase | 0.546 |
Antiviral | Yes |
Prediction | 0.534838 |