Chemoinformaics analysis of Homolycorine
Molecular Weight | 315.369 | nRot | 2 |
Heavy Atom Molecular Weight | 294.201 | nRig | 21 |
Exact Molecular Weight | 315.147 | nRing | 4 |
Solubility: LogS | -3.411 | nHRing | 2 |
Solubility: LogP | 2.445 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 18 | 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 | 48.3707 |
nHD | 0 | BPOL | 28.8533 |
QED | 0.619 |
Synth | 3.841 |
Natural Product Likeliness | 2.003 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.104 |
Pgp-sub | 0.018 |
HIA | 0.01 |
CACO-2 | -4.45 |
MDCK | 0.0000299 |
BBB | 0.991 |
PPB | 0.669966 |
VDSS | 1.683 |
FU | 0.24475 |
CYP1A2-inh | 0.049 |
CYP1A2-sub | 0.793 |
CYP2c19-inh | 0.046 |
CYP2c19-sub | 0.942 |
CYP2c9-inh | 0.031 |
CYP2c9-sub | 0.595 |
CYP2d6-inh | 0.75 |
CYP2d6-sub | 0.878 |
CYP3a4-inh | 0.236 |
CYP3a4-sub | 0.743 |
CL | 12.278 |
T12 | 0.517 |
hERG | 0.021 |
Ames | 0.043 |
ROA | 0.914 |
SkinSen | 0.028 |
Carcinogencity | 0.877 |
EI | 0.011 |
Respiratory | 0.945 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.62213 |