Chemoinformaics analysis of Mimengoside C
Molecular Weight | 1089.28 | nRot | 12 |
Heavy Atom Molecular Weight | 1000.57 | nRig | 50 |
Exact Molecular Weight | 1088.58 | nRing | 9 |
Solubility: LogS | -1.602 | nHRing | 4 |
Solubility: LogP | -0.806 | No. of Aliphatic Rings | 9 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 164 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 76 | No. of Aromatic Carbocycles | 0 |
nHetero | 22 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 88 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 54 | No. of Saturated Rings | 7 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 22 | No. of Arom Bond | 0 |
nHA | 22 | APOL | 166.502 |
nHD | 14 | BPOL | 102.17 |
QED | 0.097 |
Synth | 6.984 |
Natural Product Likeliness | 2.245 |
NR-PPAR-gamma | 0.798 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.938 |
Pgp-sub | 0.052 |
HIA | 1 |
CACO-2 | -6.041 |
MDCK | 0.000288893 |
BBB | 0.17 |
PPB | 0.676529 |
VDSS | -0.048 |
FU | 0.121354 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.046 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.498 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.032 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.067 |
CYP3a4-inh | 0.029 |
CYP3a4-sub | 0.019 |
CL | 0.231 |
T12 | 0.041 |
hERG | 0.029 |
Ames | 0.076 |
ROA | 0.543 |
SkinSen | 0.001 |
Carcinogencity | 0.021 |
EI | 0.001 |
Respiratory | 0.615 |
NR-Aromatase | 0.864 |
Antiviral | Yes |
Prediction | 0.851669 |