Chemoinformaics analysis of N-Methylacridone
Molecular Weight | 209.248 | nRot | 0 |
Heavy Atom Molecular Weight | 198.16 | nRig | 17 |
Exact Molecular Weight | 209.084 | nRing | 3 |
Solubility: LogS | -4.093 | nHRing | 1 |
Solubility: LogP | 2.79 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 2 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 1 | No. of Arom Bond | 16 |
nHA | 2 | APOL | 32.6167 |
nHD | 0 | BPOL | 13.6133 |
QED | 0.522 |
Synth | 1.661 |
Natural Product Likeliness | -0.097 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0.061 |
HIA | 0.003 |
CACO-2 | -4.636 |
MDCK | 0.0000255 |
BBB | 0.94 |
PPB | 0.918113 |
VDSS | 0.829 |
FU | 0.0314552 |
CYP1A2-inh | 0.981 |
CYP1A2-sub | 0.789 |
CYP2c19-inh | 0.848 |
CYP2c19-sub | 0.555 |
CYP2c9-inh | 0.465 |
CYP2c9-sub | 0.819 |
CYP2d6-inh | 0.294 |
CYP2d6-sub | 0.816 |
CYP3a4-inh | 0.069 |
CYP3a4-sub | 0.295 |
CL | 2.776 |
T12 | 0.178 |
hERG | 0.032 |
Ames | 0.939 |
ROA | 0.12 |
SkinSen | 0.753 |
Carcinogencity | 0.907 |
EI | 0.988 |
Respiratory | 0.706 |
NR-Aromatase | 0.026 |
Antiviral | Yes |
Prediction | 0.649662 |