Chemoinformaics analysis of SARMENTOSE
Molecular Weight | 162.185 | nRot | 5 |
Heavy Atom Molecular Weight | 148.073 | nRig | 1 |
Exact Molecular Weight | 162.089 | nRing | 0 |
Solubility: LogS | 0.206 | nHRing | 0 |
Solubility: LogP | -1.347 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 24.2331 |
nHD | 2 | BPOL | 16.6489 |
QED | 0.526 |
Synth | 3.976 |
Natural Product Likeliness | 2.338 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.036 |
HIA | 0.396 |
CACO-2 | -4.707 |
MDCK | 0.000821288 |
BBB | 0.156 |
PPB | 0.237255 |
VDSS | 0.639 |
FU | 0.821593 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.136 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.367 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.111 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.202 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.103 |
CL | 4.788 |
T12 | 0.648 |
hERG | 0.031 |
Ames | 0.089 |
ROA | 0.037 |
SkinSen | 0.368 |
Carcinogencity | 0.016 |
EI | 0.313 |
Respiratory | 0.236 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.957465 |