Chemoinformaics analysis of Cedroxide
Molecular Weight | 206.329 | nRot | 0 |
Heavy Atom Molecular Weight | 184.153 | nRig | 16 |
Exact Molecular Weight | 206.167 | nRing | 4 |
Solubility: LogS | -4.311 | nHRing | 1 |
Solubility: LogP | 3.489 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 14 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 38.8514 |
nHD | 0 | BPOL | 23.8066 |
QED | 0.591 |
Synth | 5.79 |
Natural Product Likeliness | 3.206 |
NR-PPAR-gamma | 0.011 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.002 |
CACO-2 | -4.771 |
MDCK | 0.0000248 |
BBB | 0.124 |
PPB | 0.950274 |
VDSS | 1.502 |
FU | 0.0355514 |
CYP1A2-inh | 0.317 |
CYP1A2-sub | 0.627 |
CYP2c19-inh | 0.261 |
CYP2c19-sub | 0.912 |
CYP2c9-inh | 0.186 |
CYP2c9-sub | 0.247 |
CYP2d6-inh | 0.056 |
CYP2d6-sub | 0.744 |
CYP3a4-inh | 0.694 |
CYP3a4-sub | 0.357 |
CL | 8.656 |
T12 | 0.201 |
hERG | 0.218 |
Ames | 0.018 |
ROA | 0.113 |
SkinSen | 0.781 |
Carcinogencity | 0.306 |
EI | 0.955 |
Respiratory | 0.954 |
NR-Aromatase | 0.211 |
Antiviral | Yes |
Prediction | 0.873495 |