Chemoinformaics analysis of Songorine
Molecular Weight | 357.494 | nRot | 1 |
Heavy Atom Molecular Weight | 326.246 | nRig | 26 |
Exact Molecular Weight | 357.23 | nRing | 6 |
Solubility: LogS | -3.556 | nHRing | 1 |
Solubility: LogP | 1.515 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 57 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 7 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 31 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 22 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 60.9166 |
nHD | 2 | BPOL | 33.6774 |
QED | 0.782 |
Synth | 7.291 |
Natural Product Likeliness | 3.04 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.022 |
HIA | 0.006 |
CACO-2 | -4.815 |
MDCK | 0.0000286 |
BBB | 0.854 |
PPB | 0.433625 |
VDSS | 0.836 |
FU | 0.643649 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.672 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.892 |
CYP2c9-inh | 0.019 |
CYP2c9-sub | 0.093 |
CYP2d6-inh | 0.037 |
CYP2d6-sub | 0.732 |
CYP3a4-inh | 0.412 |
CYP3a4-sub | 0.602 |
CL | 9.976 |
T12 | 0.807 |
hERG | 0.179 |
Ames | 0.007 |
ROA | 0.973 |
SkinSen | 0.201 |
Carcinogencity | 0.083 |
EI | 0.035 |
Respiratory | 0.862 |
NR-Aromatase | 0.107 |
Antiviral | No |
Prediction | 0.586665 |