Chemoinformaics analysis of PHLOIONOLIC-ACID
Molecular Weight | 236.176 | nRot | 7 |
Heavy Atom Molecular Weight | 224.08 | nRig | 3 |
Exact Molecular Weight | 236.053 | nRing | 0 |
Solubility: LogS | -0.64 | nHRing | 0 |
Solubility: LogP | -1.665 | No. of Aliphatic Rings | 0 |
Acid Count | 3 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 28 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 27.7775 |
nHD | 5 | BPOL | 14.6425 |
QED | 0.316 |
Synth | 3.516 |
Natural Product Likeliness | 0.798 |
NR-PPAR-gamma | 0.012 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.655 |
HIA | 0.283 |
CACO-2 | -6.203 |
MDCK | 0.00651235 |
BBB | 0.303 |
PPB | 0.253609 |
VDSS | 0.37 |
FU | 0.691793 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.044 |
CYP2c19-inh | 0.016 |
CYP2c19-sub | 0.038 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.44 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.103 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.002 |
CL | 1.731 |
T12 | 0.909 |
hERG | 0.005 |
Ames | 0.025 |
ROA | 0.002 |
SkinSen | 0.202 |
Carcinogencity | 0.005 |
EI | 0.936 |
Respiratory | 0.02 |
NR-Aromatase | 0.012 |
Antiviral | No |
Prediction | 0.899876 |