Chemoinformaics analysis of RHAMNOVERACINTINE
Molecular Weight | 529.762 | nRot | 4 |
Heavy Atom Molecular Weight | 478.354 | nRig | 31 |
Exact Molecular Weight | 529.377 | nRing | 6 |
Solubility: LogS | -4.01 | nHRing | 2 |
Solubility: LogP | 5.053 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 89 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 38 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 51 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 32 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 92.5564 |
nHD | 3 | BPOL | 55.7756 |
QED | 0.444 |
Synth | 5.224 |
Natural Product Likeliness | 2.444 |
NR-PPAR-gamma | 0.012 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.849 |
Pgp-sub | 0.006 |
HIA | 0.161 |
CACO-2 | -4.769 |
MDCK | 0.000022 |
BBB | 0.196 |
PPB | 0.96734 |
VDSS | 1.868 |
FU | 0.0189955 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.412 |
CYP2c19-inh | 0.015 |
CYP2c19-sub | 0.943 |
CYP2c9-inh | 0.029 |
CYP2c9-sub | 0.163 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.863 |
CYP3a4-inh | 0.109 |
CYP3a4-sub | 0.478 |
CL | 6.982 |
T12 | 0.024 |
hERG | 0.051 |
Ames | 0.07 |
ROA | 0.18 |
SkinSen | 0.011 |
Carcinogencity | 0.097 |
EI | 0.005 |
Respiratory | 0.898 |
NR-Aromatase | 0.053 |
Antiviral | Yes |
Prediction | 0.590274 |