Chemoinformaics analysis of Hippeastrine
Molecular Weight | 315.325 | nRot | 0 |
Heavy Atom Molecular Weight | 298.189 | nRig | 25 |
Exact Molecular Weight | 315.111 | nRing | 5 |
Solubility: LogS | -3.11 | nHRing | 3 |
Solubility: LogP | 1.637 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | 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 | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 44.8355 |
nHD | 1 | BPOL | 24.8405 |
QED | 0.57 |
Synth | 4.19 |
Natural Product Likeliness | 2.275 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.041 |
HIA | 0.005 |
CACO-2 | -4.678 |
MDCK | 0.000052 |
BBB | 0.987 |
PPB | 0.693334 |
VDSS | 2.38 |
FU | 0.362654 |
CYP1A2-inh | 0.824 |
CYP1A2-sub | 0.651 |
CYP2c19-inh | 0.15 |
CYP2c19-sub | 0.811 |
CYP2c9-inh | 0.059 |
CYP2c9-sub | 0.626 |
CYP2d6-inh | 0.937 |
CYP2d6-sub | 0.726 |
CYP3a4-inh | 0.646 |
CYP3a4-sub | 0.297 |
CL | 15.784 |
T12 | 0.414 |
hERG | 0.044 |
Ames | 0.05 |
ROA | 0.92 |
SkinSen | 0.058 |
Carcinogencity | 0.845 |
EI | 0.011 |
Respiratory | 0.965 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.654138 |