Chemoinformaics analysis of Carbromal
Molecular Weight | 237.097 | nRot | 3 |
Heavy Atom Molecular Weight | 223.993 | nRig | 2 |
Exact Molecular Weight | 236.016 | nRing | 0 |
Solubility: LogS | -1.923 | nHRing | 0 |
Solubility: LogP | 1.668 | 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 | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 27.2123 |
nHD | 2 | BPOL | 16.1577 |
QED | 0.722 |
Synth | 3.108 |
Natural Product Likeliness | -0.536 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.007 |
HIA | 0.007 |
CACO-2 | -4.579 |
MDCK | 0.0000564 |
BBB | 1 |
PPB | 0.570193 |
VDSS | 0.795 |
FU | 0.493162 |
CYP1A2-inh | 0.108 |
CYP1A2-sub | 0.789 |
CYP2c19-inh | 0.177 |
CYP2c19-sub | 0.818 |
CYP2c9-inh | 0.036 |
CYP2c9-sub | 0.744 |
CYP2d6-inh | 0.017 |
CYP2d6-sub | 0.696 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.143 |
CL | 2.473 |
T12 | 0.579 |
hERG | 0.013 |
Ames | 0.791 |
ROA | 0.949 |
SkinSen | 0.19 |
Carcinogencity | 0.1 |
EI | 0.014 |
Respiratory | 0.244 |
NR-Aromatase | 0.01 |
Antiviral | No |
Prediction | 0.939613 |