Chemoinformaics analysis of Coroglaucigenin
Molecular Weight | 390.52 | nRot | 2 |
Heavy Atom Molecular Weight | 356.248 | nRig | 25 |
Exact Molecular Weight | 390.241 | nRing | 5 |
Solubility: LogS | -4.116 | nHRing | 1 |
Solubility: LogP | 2.481 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 62 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 23 | 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 | 5 | APOL | 65.091 |
nHD | 3 | BPOL | 36.713 |
QED | 0.619 |
Synth | 4.863 |
Natural Product Likeliness | 2.772 |
NR-PPAR-gamma | 0.23 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.063 |
HIA | 0.382 |
CACO-2 | -5.152 |
MDCK | 0.00000879 |
BBB | 0.916 |
PPB | 0.95342 |
VDSS | 1.353 |
FU | 0.037644 |
CYP1A2-inh | 0.037 |
CYP1A2-sub | 0.503 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.528 |
CYP2c9-inh | 0.132 |
CYP2c9-sub | 0.638 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.652 |
CYP3a4-inh | 0.258 |
CYP3a4-sub | 0.18 |
CL | 17.121 |
T12 | 0.169 |
hERG | 0.06 |
Ames | 0.02 |
ROA | 0.976 |
SkinSen | 0.351 |
Carcinogencity | 0.273 |
EI | 0.01 |
Respiratory | 0.92 |
NR-Aromatase | 0.532 |
Antiviral | Yes |
Prediction | 0.629137 |