Chemoinformaics analysis of Cardamonin
Molecular Weight | 270.284 | nRot | 4 |
Heavy Atom Molecular Weight | 256.172 | nRig | 14 |
Exact Molecular Weight | 270.089 | nRing | 2 |
Solubility: LogS | -3.225 | nHRing | 0 |
Solubility: LogP | 3.035 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 39.2631 |
nHD | 2 | BPOL | 16.6489 |
QED | 0.662 |
Synth | 2.096 |
Natural Product Likeliness | 0.926 |
NR-PPAR-gamma | 0.8 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0.011 |
HIA | 0.008 |
CACO-2 | -4.867 |
MDCK | 0.0000153 |
BBB | 0.246 |
PPB | 0.988683 |
VDSS | 0.537 |
FU | 0.00896908 |
CYP1A2-inh | 0.986 |
CYP1A2-sub | 0.708 |
CYP2c19-inh | 0.705 |
CYP2c19-sub | 0.084 |
CYP2c9-inh | 0.751 |
CYP2c9-sub | 0.934 |
CYP2d6-inh | 0.841 |
CYP2d6-sub | 0.871 |
CYP3a4-inh | 0.819 |
CYP3a4-sub | 0.181 |
CL | 12.553 |
T12 | 0.887 |
hERG | 0.072 |
Ames | 0.811 |
ROA | 0.749 |
SkinSen | 0.935 |
Carcinogencity | 0.523 |
EI | 0.974 |
Respiratory | 0.772 |
NR-Aromatase | 0.758 |
Antiviral | No |
Prediction | 0.702828 |