Chemoinformaics analysis of Anhydrolycorinone
Molecular Weight | 265.268 | nRot | 0 |
Heavy Atom Molecular Weight | 254.18 | nRig | 24 |
Exact Molecular Weight | 265.074 | nRing | 5 |
Solubility: LogS | -6.432 | nHRing | 3 |
Solubility: LogP | 3.593 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 3 | No. of Arom Bond | 16 |
nHA | 4 | APOL | 37.5607 |
nHD | 0 | BPOL | 17.0853 |
QED | 0.586 |
Synth | 2.382 |
Natural Product Likeliness | 0.134 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.095 |
Pgp-sub | 0.002 |
HIA | 0.002 |
CACO-2 | -4.937 |
MDCK | 0.0000261 |
BBB | 0.918 |
PPB | 0.958687 |
VDSS | 0.882 |
FU | 0.0145669 |
CYP1A2-inh | 0.989 |
CYP1A2-sub | 0.193 |
CYP2c19-inh | 0.963 |
CYP2c19-sub | 0.181 |
CYP2c9-inh | 0.831 |
CYP2c9-sub | 0.899 |
CYP2d6-inh | 0.952 |
CYP2d6-sub | 0.92 |
CYP3a4-inh | 0.925 |
CYP3a4-sub | 0.149 |
CL | 12.34 |
T12 | 0.16 |
hERG | 0.114 |
Ames | 0.96 |
ROA | 0.128 |
SkinSen | 0.552 |
Carcinogencity | 0.96 |
EI | 0.628 |
Respiratory | 0.616 |
NR-Aromatase | 0.198 |
Antiviral | Yes |
Prediction | 0.66794 |