Chemoinformaics analysis of Crinamidine
Molecular Weight | 317.341 | nRot | 1 |
Heavy Atom Molecular Weight | 298.189 | nRig | 25 |
Exact Molecular Weight | 317.126 | nRing | 6 |
Solubility: LogS | -3.343 | nHRing | 4 |
Solubility: LogP | 1.086 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 17 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 46.1691 |
nHD | 1 | BPOL | 27.7149 |
QED | 0.773 |
Synth | 5.24 |
Natural Product Likeliness | 2.679 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.965 |
HIA | 0.003 |
CACO-2 | -5.353 |
MDCK | 0.0000234 |
BBB | 0.992 |
PPB | 0.224717 |
VDSS | 2.275 |
FU | 0.633136 |
CYP1A2-inh | 0.173 |
CYP1A2-sub | 0.879 |
CYP2c19-inh | 0.086 |
CYP2c19-sub | 0.848 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.617 |
CYP2d6-inh | 0.758 |
CYP2d6-sub | 0.697 |
CYP3a4-inh | 0.677 |
CYP3a4-sub | 0.702 |
CL | 13.086 |
T12 | 0.608 |
hERG | 0.227 |
Ames | 0.113 |
ROA | 0.73 |
SkinSen | 0.087 |
Carcinogencity | 0.778 |
EI | 0.011 |
Respiratory | 0.941 |
NR-Aromatase | 0.207 |
Antiviral | Yes |
Prediction | 0.645482 |