Chemoinformaics analysis of Tembamide
Molecular Weight | 271.316 | nRot | 5 |
Heavy Atom Molecular Weight | 254.18 | nRig | 13 |
Exact Molecular Weight | 271.121 | nRing | 2 |
Solubility: LogS | -3.074 | nHRing | 0 |
Solubility: LogP | 2.014 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 41.5615 |
nHD | 2 | BPOL | 20.2285 |
QED | 0.876 |
Synth | 1.981 |
Natural Product Likeliness | -0.617 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.015 |
Pgp-sub | 0.048 |
HIA | 0.079 |
CACO-2 | -4.783 |
MDCK | 0.0000114 |
BBB | 0.586 |
PPB | 0.88913 |
VDSS | 0.781 |
FU | 0.0666072 |
CYP1A2-inh | 0.435 |
CYP1A2-sub | 0.131 |
CYP2c19-inh | 0.82 |
CYP2c19-sub | 0.669 |
CYP2c9-inh | 0.677 |
CYP2c9-sub | 0.874 |
CYP2d6-inh | 0.461 |
CYP2d6-sub | 0.852 |
CYP3a4-inh | 0.12 |
CYP3a4-sub | 0.31 |
CL | 8.728 |
T12 | 0.541 |
hERG | 0.302 |
Ames | 0.047 |
ROA | 0.016 |
SkinSen | 0.191 |
Carcinogencity | 0.111 |
EI | 0.063 |
Respiratory | 0.032 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.612633 |