Chemoinformaics analysis of KAURANE
Molecular Weight | 274.492 | nRot | 0 |
Heavy Atom Molecular Weight | 240.22 | nRig | 19 |
Exact Molecular Weight | 274.266 | nRing | 4 |
Solubility: LogS | -6.815 | nHRing | 0 |
Solubility: LogP | 6.628 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 54 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 56.071 |
nHD | 0 | BPOL | 34.109 |
QED | 0.504 |
Synth | 5.38 |
Natural Product Likeliness | 3.03 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.008 |
Pgp-sub | 0 |
HIA | 0.004 |
CACO-2 | -4.908 |
MDCK | 0.00000991 |
BBB | 0.695 |
PPB | 0.986003 |
VDSS | 1.765 |
FU | 0.0204903 |
CYP1A2-inh | 0.083 |
CYP1A2-sub | 0.536 |
CYP2c19-inh | 0.137 |
CYP2c19-sub | 0.951 |
CYP2c9-inh | 0.181 |
CYP2c9-sub | 0.693 |
CYP2d6-inh | 0.092 |
CYP2d6-sub | 0.868 |
CYP3a4-inh | 0.37 |
CYP3a4-sub | 0.247 |
CL | 12.617 |
T12 | 0.041 |
hERG | 0.017 |
Ames | 0.011 |
ROA | 0.057 |
SkinSen | 0.214 |
Carcinogencity | 0.022 |
EI | 0.775 |
Respiratory | 0.727 |
NR-Aromatase | 0.158 |
Antiviral | No |
Prediction | 0.639801 |