Chemoinformaics analysis of Teugin
Molecular Weight | 374.389 | nRot | 1 |
Heavy Atom Molecular Weight | 352.213 | nRig | 28 |
Exact Molecular Weight | 374.137 | nRing | 5 |
Solubility: LogS | -3.826 | nHRing | 3 |
Solubility: LogP | 1.12 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 20 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 7 | No. of Arom Bond | 5 |
nHA | 7 | APOL | 53.6834 |
nHD | 2 | BPOL | 29.0146 |
QED | 0.748 |
Synth | 5.755 |
Natural Product Likeliness | 3.343 |
NR-PPAR-gamma | 0.439 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.322 |
Pgp-sub | 0.27 |
HIA | 0.007 |
CACO-2 | -5.188 |
MDCK | 0.0000237 |
BBB | 0.936 |
PPB | 0.552595 |
VDSS | 0.448 |
FU | 0.468046 |
CYP1A2-inh | 0.02 |
CYP1A2-sub | 0.135 |
CYP2c19-inh | 0.073 |
CYP2c19-sub | 0.243 |
CYP2c9-inh | 0.118 |
CYP2c9-sub | 0.07 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.209 |
CYP3a4-inh | 0.409 |
CYP3a4-sub | 0.273 |
CL | 6.62 |
T12 | 0.589 |
hERG | 0.148 |
Ames | 0.144 |
ROA | 0.972 |
SkinSen | 0.169 |
Carcinogencity | 0.548 |
EI | 0.289 |
Respiratory | 0.965 |
NR-Aromatase | 0.486 |
Antiviral | No |
Prediction | 0.547989 |