Chemoinformaics analysis of Cropodine
Molecular Weight | 327.377 | nRot | 0 |
Heavy Atom Molecular Weight | 302.177 | nRig | 20 |
Exact Molecular Weight | 327.168 | nRing | 3 |
Solubility: LogS | -1.161 | nHRing | 3 |
Solubility: LogP | 0.116 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 48 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 25 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 16 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 49.3018 |
nHD | 2 | BPOL | 31.9982 |
QED | 0.589 |
Synth | 4.96 |
Natural Product Likeliness | 2.399 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.429 |
Pgp-sub | 0.004 |
HIA | 0.054 |
CACO-2 | -5.171 |
MDCK | 0.000115706 |
BBB | 0.784 |
PPB | 0.123976 |
VDSS | 0.82 |
FU | 0.862573 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.086 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.818 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.065 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.362 |
CYP3a4-inh | 0.028 |
CYP3a4-sub | 0.592 |
CL | 3.584 |
T12 | 0.415 |
hERG | 0.023 |
Ames | 0.015 |
ROA | 0.02 |
SkinSen | 0.056 |
Carcinogencity | 0.059 |
EI | 0.01 |
Respiratory | 0.036 |
NR-Aromatase | 0.019 |
Antiviral | Yes |
Prediction | 0.812529 |