Chemoinformaics analysis of Coleon O
Molecular Weight | 388.46 | nRot | 1 |
Heavy Atom Molecular Weight | 360.236 | nRig | 24 |
Exact Molecular Weight | 388.189 | nRing | 4 |
Solubility: LogS | -3.406 | nHRing | 0 |
Solubility: LogP | 2.295 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 60.2222 |
nHD | 2 | BPOL | 32.4298 |
QED | 0.388 |
Synth | 5.444 |
Natural Product Likeliness | 2.06 |
NR-PPAR-gamma | 0.144 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.981 |
Pgp-sub | 0 |
HIA | 0.013 |
CACO-2 | -4.96 |
MDCK | 0.0000574 |
BBB | 0.557 |
PPB | 0.772249 |
VDSS | 0.49 |
FU | 0.325997 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.636 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.927 |
CYP2c9-inh | 0.024 |
CYP2c9-sub | 0.063 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.112 |
CYP3a4-inh | 0.372 |
CYP3a4-sub | 0.576 |
CL | 11.464 |
T12 | 0.085 |
hERG | 0.004 |
Ames | 0.006 |
ROA | 0.984 |
SkinSen | 0.033 |
Carcinogencity | 0.058 |
EI | 0.03 |
Respiratory | 0.328 |
NR-Aromatase | 0.026 |
Antiviral | Yes |
Prediction | 0.589622 |