Chemoinformaics analysis of COELOGINANTHRIDIN
Molecular Weight | 288.299 | nRot | 2 |
Heavy Atom Molecular Weight | 272.171 | nRig | 16 |
Exact Molecular Weight | 288.1 | nRing | 3 |
Solubility: LogS | -3.479 | nHRing | 0 |
Solubility: LogP | 3.04 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | 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 | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 41.3987 |
nHD | 3 | BPOL | 19.5233 |
QED | 0.791 |
Synth | 2.665 |
Natural Product Likeliness | 1.861 |
NR-PPAR-gamma | 0.904 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.008 |
Pgp-sub | 0.087 |
HIA | 0.007 |
CACO-2 | -4.939 |
MDCK | 0.0000137 |
BBB | 0.035 |
PPB | 0.961685 |
VDSS | 0.566 |
FU | 0.0533187 |
CYP1A2-inh | 0.92 |
CYP1A2-sub | 0.935 |
CYP2c19-inh | 0.127 |
CYP2c19-sub | 0.08 |
CYP2c9-inh | 0.161 |
CYP2c9-sub | 0.898 |
CYP2d6-inh | 0.618 |
CYP2d6-sub | 0.862 |
CYP3a4-inh | 0.446 |
CYP3a4-sub | 0.217 |
CL | 8.912 |
T12 | 0.744 |
hERG | 0.21 |
Ames | 0.386 |
ROA | 0.146 |
SkinSen | 0.887 |
Carcinogencity | 0.022 |
EI | 0.733 |
Respiratory | 0.495 |
NR-Aromatase | 0.722 |
Antiviral | Yes |
Prediction | 0.877291 |