Chemoinformaics analysis of Confusameline
Molecular Weight | 215.208 | nRot | 1 |
Heavy Atom Molecular Weight | 206.136 | nRig | 15 |
Exact Molecular Weight | 215.058 | nRing | 3 |
Solubility: LogS | -3.219 | nHRing | 2 |
Solubility: LogP | 2.672 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | 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 | 13 |
No. of Oxygen atom | 3 | No. of Arom Bond | 15 |
nHA | 4 | APOL | 29.5471 |
nHD | 1 | BPOL | 13.6409 |
QED | 0.678 |
Synth | 2.573 |
Natural Product Likeliness | 1.175 |
NR-PPAR-gamma | 0.856 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.004 |
HIA | 0.006 |
CACO-2 | -4.756 |
MDCK | 0.0000217 |
BBB | 0.067 |
PPB | 0.944589 |
VDSS | 0.49 |
FU | 0.047134 |
CYP1A2-inh | 0.99 |
CYP1A2-sub | 0.853 |
CYP2c19-inh | 0.61 |
CYP2c19-sub | 0.119 |
CYP2c9-inh | 0.386 |
CYP2c9-sub | 0.877 |
CYP2d6-inh | 0.806 |
CYP2d6-sub | 0.893 |
CYP3a4-inh | 0.838 |
CYP3a4-sub | 0.202 |
CL | 11.677 |
T12 | 0.721 |
hERG | 0.05 |
Ames | 0.261 |
ROA | 0.385 |
SkinSen | 0.6 |
Carcinogencity | 0.826 |
EI | 0.332 |
Respiratory | 0.931 |
NR-Aromatase | 0.623 |
Antiviral | No |
Prediction | 0.632744 |