Chemoinformaics analysis of BYAKANGELICOL
Molecular Weight | 316.309 | nRot | 4 |
Heavy Atom Molecular Weight | 300.181 | nRig | 19 |
Exact Molecular Weight | 316.095 | nRing | 4 |
Solubility: LogS | -4.228 | nHRing | 3 |
Solubility: LogP | 2.84 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 13 |
No. of Oxygen atom | 6 | No. of Arom Bond | 15 |
nHA | 6 | APOL | 43.8707 |
nHD | 0 | BPOL | 25.5993 |
QED | 0.544 |
Synth | 3.392 |
Natural Product Likeliness | 1.935 |
NR-PPAR-gamma | 0.139 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.204 |
Pgp-sub | 0.001 |
HIA | 0.017 |
CACO-2 | -4.704 |
MDCK | 0.0000325 |
BBB | 0.019 |
PPB | 0.765443 |
VDSS | 0.713 |
FU | 0.152 |
CYP1A2-inh | 0.951 |
CYP1A2-sub | 0.892 |
CYP2c19-inh | 0.471 |
CYP2c19-sub | 0.427 |
CYP2c9-inh | 0.712 |
CYP2c9-sub | 0.408 |
CYP2d6-inh | 0.522 |
CYP2d6-sub | 0.658 |
CYP3a4-inh | 0.619 |
CYP3a4-sub | 0.467 |
CL | 12.42 |
T12 | 0.358 |
hERG | 0.031 |
Ames | 0.17 |
ROA | 0.648 |
SkinSen | 0.233 |
Carcinogencity | 0.792 |
EI | 0.104 |
Respiratory | 0.81 |
NR-Aromatase | 0.847 |
Antiviral | Yes |
Prediction | 0.824946 |