Chemoinformaics analysis of Cyclocommunol
Molecular Weight | 352.342 | nRot | 1 |
Heavy Atom Molecular Weight | 336.214 | nRig | 23 |
Exact Molecular Weight | 352.095 | nRing | 4 |
Solubility: LogS | -4.068 | nHRing | 2 |
Solubility: LogP | 3.744 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 6 | No. of Arom Bond | 17 |
nHA | 6 | APOL | 48.8807 |
nHD | 3 | BPOL | 20.3913 |
QED | 0.573 |
Synth | 3.557 |
Natural Product Likeliness | 2.265 |
NR-PPAR-gamma | 0.965 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0.833 |
HIA | 0.015 |
CACO-2 | -4.948 |
MDCK | 0.0000103 |
BBB | 0.01 |
PPB | 0.952756 |
VDSS | 0.938 |
FU | 0.0626438 |
CYP1A2-inh | 0.903 |
CYP1A2-sub | 0.52 |
CYP2c19-inh | 0.875 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0.875 |
CYP2c9-sub | 0.958 |
CYP2d6-inh | 0.867 |
CYP2d6-sub | 0.487 |
CYP3a4-inh | 0.647 |
CYP3a4-sub | 0.123 |
CL | 2.2 |
T12 | 0.668 |
hERG | 0.016 |
Ames | 0.806 |
ROA | 0.285 |
SkinSen | 0.469 |
Carcinogencity | 0.077 |
EI | 0.909 |
Respiratory | 0.61 |
NR-Aromatase | 0.965 |
Antiviral | Yes |
Prediction | 0.824778 |