Chemoinformaics analysis of HAEMANTHAMINE
Molecular Weight | 301.342 | nRot | 1 |
Heavy Atom Molecular Weight | 282.19 | nRig | 23 |
Exact Molecular Weight | 301.131 | nRing | 5 |
Solubility: LogS | -1.545 | nHRing | 3 |
Solubility: LogP | 1.032 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | 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 | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 45.3671 |
nHD | 1 | BPOL | 25.9789 |
QED | 0.79 |
Synth | 5.217 |
Natural Product Likeliness | 2.577 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.35 |
HIA | 0.005 |
CACO-2 | -4.639 |
MDCK | 0.0000214 |
BBB | 0.989 |
PPB | 0.540369 |
VDSS | 2.269 |
FU | 0.43416 |
CYP1A2-inh | 0.105 |
CYP1A2-sub | 0.457 |
CYP2c19-inh | 0.071 |
CYP2c19-sub | 0.875 |
CYP2c9-inh | 0.011 |
CYP2c9-sub | 0.4 |
CYP2d6-inh | 0.917 |
CYP2d6-sub | 0.775 |
CYP3a4-inh | 0.797 |
CYP3a4-sub | 0.769 |
CL | 13.465 |
T12 | 0.309 |
hERG | 0.037 |
Ames | 0.283 |
ROA | 0.327 |
SkinSen | 0.04 |
Carcinogencity | 0.924 |
EI | 0.01 |
Respiratory | 0.85 |
NR-Aromatase | 0.007 |
Antiviral | Yes |
Prediction | 0.707902 |