Chemoinformaics analysis of LERIDOL
Molecular Weight | 314.337 | nRot | 3 |
Heavy Atom Molecular Weight | 296.193 | nRig | 18 |
Exact Molecular Weight | 314.115 | nRing | 3 |
Solubility: LogS | -3.523 | nHRing | 1 |
Solubility: LogP | 3.184 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 46.0723 |
nHD | 2 | BPOL | 22.3977 |
QED | 0.911 |
Synth | 3.024 |
Natural Product Likeliness | 1.582 |
NR-PPAR-gamma | 0.694 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.108 |
Pgp-sub | 0.001 |
HIA | 0.007 |
CACO-2 | -4.879 |
MDCK | 0.0000136 |
BBB | 0.703 |
PPB | 0.964094 |
VDSS | 0.479 |
FU | 0.0300069 |
CYP1A2-inh | 0.285 |
CYP1A2-sub | 0.666 |
CYP2c19-inh | 0.609 |
CYP2c19-sub | 0.78 |
CYP2c9-inh | 0.629 |
CYP2c9-sub | 0.803 |
CYP2d6-inh | 0.133 |
CYP2d6-sub | 0.38 |
CYP3a4-inh | 0.422 |
CYP3a4-sub | 0.502 |
CL | 6.992 |
T12 | 0.437 |
hERG | 0.03 |
Ames | 0.113 |
ROA | 0.814 |
SkinSen | 0.84 |
Carcinogencity | 0.539 |
EI | 0.203 |
Respiratory | 0.209 |
NR-Aromatase | 0.539 |
Antiviral | Yes |
Prediction | 0.802502 |