Chemoinformaics analysis of Lycorine
Molecular Weight | 287.315 | nRot | 0 |
Heavy Atom Molecular Weight | 270.179 | nRig | 23 |
Exact Molecular Weight | 287.116 | nRing | 5 |
Solubility: LogS | -2.105 | nHRing | 3 |
Solubility: LogP | 0.828 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 42.3635 |
nHD | 2 | BPOL | 22.2365 |
QED | 0.69 |
Synth | 4.165 |
Natural Product Likeliness | 2.292 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.147 |
HIA | 0.007 |
CACO-2 | -4.657 |
MDCK | 0.0000163 |
BBB | 0.98 |
PPB | 0.720963 |
VDSS | 4.292 |
FU | 0.298174 |
CYP1A2-inh | 0.195 |
CYP1A2-sub | 0.227 |
CYP2c19-inh | 0.032 |
CYP2c19-sub | 0.85 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.238 |
CYP2d6-inh | 0.922 |
CYP2d6-sub | 0.756 |
CYP3a4-inh | 0.132 |
CYP3a4-sub | 0.571 |
CL | 11.83 |
T12 | 0.364 |
hERG | 0.016 |
Ames | 0.457 |
ROA | 0.707 |
SkinSen | 0.027 |
Carcinogencity | 0.942 |
EI | 0.007 |
Respiratory | 0.893 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.749744 |