Chemoinformaics analysis of Confertifolin
Molecular Weight | 234.339 | nRot | 0 |
Heavy Atom Molecular Weight | 212.163 | nRig | 15 |
Exact Molecular Weight | 234.162 | nRing | 3 |
Solubility: LogS | -4.704 | nHRing | 1 |
Solubility: LogP | 4.485 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 41.3234 |
nHD | 0 | BPOL | 24.6746 |
QED | 0.735 |
Synth | 3.966 |
Natural Product Likeliness | 2.273 |
NR-PPAR-gamma | 0.719 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.012 |
Pgp-sub | 0 |
HIA | 0.005 |
CACO-2 | -4.708 |
MDCK | 0.0000221 |
BBB | 0.219 |
PPB | 0.971223 |
VDSS | 3.213 |
FU | 0.0409524 |
CYP1A2-inh | 0.165 |
CYP1A2-sub | 0.689 |
CYP2c19-inh | 0.102 |
CYP2c19-sub | 0.702 |
CYP2c9-inh | 0.302 |
CYP2c9-sub | 0.933 |
CYP2d6-inh | 0.136 |
CYP2d6-sub | 0.857 |
CYP3a4-inh | 0.041 |
CYP3a4-sub | 0.156 |
CL | 12.318 |
T12 | 0.242 |
hERG | 0.005 |
Ames | 0.007 |
ROA | 0.608 |
SkinSen | 0.381 |
Carcinogencity | 0.339 |
EI | 0.41 |
Respiratory | 0.955 |
NR-Aromatase | 0.687 |
Antiviral | Yes |
Prediction | 0.867559 |