Chemoinformaics analysis of ZEYLANONE
Molecular Weight | 374.348 | nRot | 0 |
Heavy Atom Molecular Weight | 360.236 | nRig | 27 |
Exact Molecular Weight | 374.079 | nRing | 5 |
Solubility: LogS | -4.099 | nHRing | 0 |
Solubility: LogP | 4.596 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 50.8871 |
nHD | 2 | BPOL | 17.5169 |
QED | 0.448 |
Synth | 3.645 |
Natural Product Likeliness | 1.674 |
NR-PPAR-gamma | 0.961 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.082 |
Pgp-sub | 0.001 |
HIA | 0.103 |
CACO-2 | -5.476 |
MDCK | 0.0000128 |
BBB | 0.004 |
PPB | 1.00865 |
VDSS | 0.348 |
FU | 0.014572 |
CYP1A2-inh | 0.855 |
CYP1A2-sub | 0.664 |
CYP2c19-inh | 0.293 |
CYP2c19-sub | 0.085 |
CYP2c9-inh | 0.835 |
CYP2c9-sub | 0.704 |
CYP2d6-inh | 0.425 |
CYP2d6-sub | 0.164 |
CYP3a4-inh | 0.337 |
CYP3a4-sub | 0.246 |
CL | 3.208 |
T12 | 0.245 |
hERG | 0.007 |
Ames | 0.849 |
ROA | 0.441 |
SkinSen | 0.828 |
Carcinogencity | 0.813 |
EI | 0.507 |
Respiratory | 0.151 |
NR-Aromatase | 0.852 |
Antiviral | Yes |
Prediction | 0.716129 |