Chemoinformaics analysis of Cowanol
Molecular Weight | 494.584 | nRot | 9 |
Heavy Atom Molecular Weight | 460.312 | nRig | 20 |
Exact Molecular Weight | 494.23 | nRing | 3 |
Solubility: LogS | -2.348 | nHRing | 1 |
Solubility: LogP | 6.865 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 70 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 36 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 29 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 14 |
No. of Oxygen atom | 7 | No. of Arom Bond | 16 |
nHA | 7 | APOL | 76.715 |
nHD | 4 | BPOL | 38.449 |
QED | 0.22 |
Synth | 3.436 |
Natural Product Likeliness | 2.184 |
NR-PPAR-gamma | 0.957 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.848 |
Pgp-sub | 0.557 |
HIA | 0.273 |
CACO-2 | -4.865 |
MDCK | 0.00000911 |
BBB | 0.002 |
PPB | 0.803986 |
VDSS | 1.19 |
FU | 0.196002 |
CYP1A2-inh | 0.529 |
CYP1A2-sub | 0.194 |
CYP2c19-inh | 0.719 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.876 |
CYP2c9-sub | 0.839 |
CYP2d6-inh | 0.694 |
CYP2d6-sub | 0.205 |
CYP3a4-inh | 0.166 |
CYP3a4-sub | 0.057 |
CL | 5.729 |
T12 | 0.47 |
hERG | 0.012 |
Ames | 0.385 |
ROA | 0.2 |
SkinSen | 0.893 |
Carcinogencity | 0.407 |
EI | 0.584 |
Respiratory | 0.433 |
NR-Aromatase | 0.847 |
Antiviral | Yes |
Prediction | 0.720929 |