Chemoinformaics analysis of Clivonidine
Molecular Weight | 299.326 | nRot | 0 |
Heavy Atom Molecular Weight | 282.19 | nRig | 25 |
Exact Molecular Weight | 299.116 | nRing | 5 |
Solubility: LogS | -3.357 | nHRing | 3 |
Solubility: LogP | 2.6 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 44.0335 |
nHD | 0 | BPOL | 24.8405 |
QED | 0.541 |
Synth | 4.221 |
Natural Product Likeliness | 1.398 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.052 |
Pgp-sub | 0.004 |
HIA | 0.003 |
CACO-2 | -4.66 |
MDCK | 0.0000574 |
BBB | 0.972 |
PPB | 0.672964 |
VDSS | 3.389 |
FU | 0.264045 |
CYP1A2-inh | 0.77 |
CYP1A2-sub | 0.871 |
CYP2c19-inh | 0.589 |
CYP2c19-sub | 0.841 |
CYP2c9-inh | 0.281 |
CYP2c9-sub | 0.421 |
CYP2d6-inh | 0.929 |
CYP2d6-sub | 0.829 |
CYP3a4-inh | 0.931 |
CYP3a4-sub | 0.369 |
CL | 16.116 |
T12 | 0.708 |
hERG | 0.045 |
Ames | 0.067 |
ROA | 0.786 |
SkinSen | 0.077 |
Carcinogencity | 0.155 |
EI | 0.017 |
Respiratory | 0.869 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.635767 |