Chemoinformaics analysis of momordica anti hiv protein map 30
Molecular Weight | 6709.04 | nRot | 216 |
Heavy Atom Molecular Weight | 6206.05 | nRig | 135 |
Exact Molecular Weight | 6704.65 | nRing | 12 |
Solubility: LogS | 3.332 | nHRing | 4 |
Solubility: LogP | 10.646 | No. of Aliphatic Rings | 3 |
Acid Count | 6 | No. of Aromatic Rings | 9 |
Base Count | 9 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 973 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 474 | No. of Aromatic Carbocycles | 8 |
nHetero | 156 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 499 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 318 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 71 | No. of Arom Atom | 53 |
No. of Oxygen atom | 83 | No. of Arom Bond | 53 |
nHA | 87 | APOL | 1014.26 |
nHD | 85 | BPOL | 597.578 |
QED | 0.007 |
Synth | 10 |
Natural Product Likeliness | 0.026 |
NR-PPAR-gamma | 0.182 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 1 |
HIA | 1 |
CACO-2 | -10.863 |
MDCK | 0.00000157 |
BBB | 0 |
PPB | 0.74047 |
VDSS | -0.412 |
FU | 0.0365149 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0 |
CYP3a4-inh | 0 |
CYP3a4-sub | 0 |
CL | -4.757 |
T12 | 0.946 |
hERG | 0 |
Ames | 0 |
ROA | 0.098 |
SkinSen | 0 |
Carcinogencity | 0.003 |
EI | 0 |
Respiratory | 0.057 |
NR-Aromatase | 0 |
Antiviral | Yes |
Prediction | 0.786318 |