Chemoinformaics analysis of ACORAMONE
Molecular Weight | 224.256 | nRot | 5 |
Heavy Atom Molecular Weight | 208.128 | nRig | 7 |
Exact Molecular Weight | 224.105 | nRing | 1 |
Solubility: LogS | -2.168 | nHRing | 0 |
Solubility: LogP | 1.212 | 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 | 16 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 33.9167 |
nHD | 0 | BPOL | 22.1273 |
QED | 0.765 |
Synth | 1.84 |
Natural Product Likeliness | 0.329 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.025 |
HIA | 0.006 |
CACO-2 | -4.54 |
MDCK | 0.0000214 |
BBB | 0.916 |
PPB | 0.605138 |
VDSS | 0.82 |
FU | 0.194421 |
CYP1A2-inh | 0.367 |
CYP1A2-sub | 0.943 |
CYP2c19-inh | 0.298 |
CYP2c19-sub | 0.927 |
CYP2c9-inh | 0.035 |
CYP2c9-sub | 0.778 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.916 |
CYP3a4-inh | 0.045 |
CYP3a4-sub | 0.678 |
CL | 10.395 |
T12 | 0.831 |
hERG | 0.048 |
Ames | 0.022 |
ROA | 0.08 |
SkinSen | 0.204 |
Carcinogencity | 0.042 |
EI | 0.362 |
Respiratory | 0.051 |
NR-Aromatase | 0.273 |
Antiviral | No |
Prediction | 0.632413 |