Chemoinformaics analysis of Panaxan-L
Molecular Weight | 350.127 | nRot | 2 |
Heavy Atom Molecular Weight | 342.063 | nRig | 16 |
Exact Molecular Weight | 349 | nRing | 3 |
Solubility: LogS | -4.475 | nHRing | 2 |
Solubility: LogP | 3.063 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 10 |
No. of Oxygen atom | 1 | No. of Arom Bond | 11 |
nHA | 3 | APOL | 37.1773 |
nHD | 1 | BPOL | 16.1027 |
QED | 0.801 |
Synth | 4.424 |
Natural Product Likeliness | -0.738 |
NR-PPAR-gamma | 0.029 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0 |
HIA | 0.003 |
CACO-2 | -4.661 |
MDCK | 0.0000204 |
BBB | 0.414 |
PPB | 0.983996 |
VDSS | 1.82 |
FU | 0.00939412 |
CYP1A2-inh | 0.94 |
CYP1A2-sub | 0.96 |
CYP2c19-inh | 0.503 |
CYP2c19-sub | 0.632 |
CYP2c9-inh | 0.862 |
CYP2c9-sub | 0.924 |
CYP2d6-inh | 0.292 |
CYP2d6-sub | 0.525 |
CYP3a4-inh | 0.358 |
CYP3a4-sub | 0.628 |
CL | 7.876 |
T12 | 0.235 |
hERG | 0.192 |
Ames | 0.017 |
ROA | 0.102 |
SkinSen | 0.094 |
Carcinogencity | 0.618 |
EI | 0.008 |
Respiratory | 0.939 |
NR-Aromatase | 0.939 |
Antiviral | Yes |
Prediction | 0.759976 |