Chemoinformaics analysis of Chrycorin
Molecular Weight | 220.293 | nRot | 1 |
Heavy Atom Molecular Weight | 208.197 | nRig | 16 |
Exact Molecular Weight | 220.056 | nRing | 3 |
Solubility: LogS | -3.566 | nHRing | 2 |
Solubility: LogP | 2.712 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 12 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 2 | No. of Arom Bond | 5 |
nHA | 3 | APOL | 32.5455 |
nHD | 0 | BPOL | 17.1025 |
QED | 0.727 |
Synth | 3.771 |
Natural Product Likeliness | -0.195 |
NR-PPAR-gamma | 0.325 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.047 |
Pgp-sub | 0 |
HIA | 0.007 |
CACO-2 | -4.605 |
MDCK | 0.000056 |
BBB | 0.778 |
PPB | 0.877002 |
VDSS | 0.567 |
FU | 0.0577153 |
CYP1A2-inh | 0.762 |
CYP1A2-sub | 0.846 |
CYP2c19-inh | 0.692 |
CYP2c19-sub | 0.885 |
CYP2c9-inh | 0.212 |
CYP2c9-sub | 0.365 |
CYP2d6-inh | 0.243 |
CYP2d6-sub | 0.41 |
CYP3a4-inh | 0.319 |
CYP3a4-sub | 0.68 |
CL | 4.325 |
T12 | 0.088 |
hERG | 0.016 |
Ames | 0.586 |
ROA | 0.239 |
SkinSen | 0.724 |
Carcinogencity | 0.687 |
EI | 0.302 |
Respiratory | 0.947 |
NR-Aromatase | 0.034 |
Antiviral | No |
Prediction | 0.615432 |