Chemoinformaics analysis of Carbamult
Molecular Weight | 207.273 | nRot | 2 |
Heavy Atom Molecular Weight | 190.137 | nRig | 7 |
Exact Molecular Weight | 207.126 | nRing | 1 |
Solubility: LogS | -3.555 | nHRing | 0 |
Solubility: LogP | 3.052 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | 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 | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 34.0795 |
nHD | 1 | BPOL | 20.2285 |
QED | 0.809 |
Synth | 2.093 |
Natural Product Likeliness | -0.372 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.023 |
HIA | 0.084 |
CACO-2 | -4.484 |
MDCK | 0.0000332 |
BBB | 0.989 |
PPB | 0.889963 |
VDSS | 0.745 |
FU | 0.104827 |
CYP1A2-inh | 0.927 |
CYP1A2-sub | 0.871 |
CYP2c19-inh | 0.701 |
CYP2c19-sub | 0.872 |
CYP2c9-inh | 0.423 |
CYP2c9-sub | 0.574 |
CYP2d6-inh | 0.439 |
CYP2d6-sub | 0.773 |
CYP3a4-inh | 0.293 |
CYP3a4-sub | 0.308 |
CL | 9.5 |
T12 | 0.789 |
hERG | 0.037 |
Ames | 0.182 |
ROA | 0.973 |
SkinSen | 0.513 |
Carcinogencity | 0.138 |
EI | 0.401 |
Respiratory | 0.817 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.644296 |