Chemoinformaics analysis of Tamirin
Molecular Weight | 262.305 | nRot | 0 |
Heavy Atom Molecular Weight | 244.161 | nRig | 18 |
Exact Molecular Weight | 262.121 | nRing | 2 |
Solubility: LogS | -2.416 | nHRing | 1 |
Solubility: LogP | 0.71 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 40.2603 |
nHD | 1 | BPOL | 21.5297 |
QED | 0.41 |
Synth | 4.818 |
Natural Product Likeliness | 3.136 |
NR-PPAR-gamma | 0.763 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.139 |
Pgp-sub | 0 |
HIA | 0.113 |
CACO-2 | -4.629 |
MDCK | 0.0000339 |
BBB | 0.687 |
PPB | 0.731221 |
VDSS | 0.719 |
FU | 0.409918 |
CYP1A2-inh | 0.101 |
CYP1A2-sub | 0.074 |
CYP2c19-inh | 0.106 |
CYP2c19-sub | 0.189 |
CYP2c9-inh | 0.137 |
CYP2c9-sub | 0.107 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.176 |
CYP3a4-inh | 0.038 |
CYP3a4-sub | 0.189 |
CL | 7.021 |
T12 | 0.806 |
hERG | 0.021 |
Ames | 0.166 |
ROA | 0.922 |
SkinSen | 0.864 |
Carcinogencity | 0.858 |
EI | 0.127 |
Respiratory | 0.933 |
NR-Aromatase | 0.513 |
Antiviral | Yes |
Prediction | 0.849382 |