Chemoinformaics analysis of LARICITRIN
Molecular Weight | 332.264 | nRot | 2 |
Heavy Atom Molecular Weight | 320.168 | nRig | 18 |
Exact Molecular Weight | 332.053 | nRing | 3 |
Solubility: LogS | -3.731 | nHRing | 1 |
Solubility: LogP | 2.12 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 8 | No. of Arom Bond | 17 |
nHA | 8 | APOL | 41.1375 |
nHD | 5 | BPOL | 16.3785 |
QED | 0.449 |
Synth | 2.646 |
Natural Product Likeliness | 1.745 |
NR-PPAR-gamma | 0.963 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.01 |
Pgp-sub | 0.035 |
HIA | 0.07 |
CACO-2 | -5.29 |
MDCK | 0.00000859 |
BBB | 0.004 |
PPB | 0.933325 |
VDSS | 0.666 |
FU | 0.122312 |
CYP1A2-inh | 0.916 |
CYP1A2-sub | 0.719 |
CYP2c19-inh | 0.033 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0.59 |
CYP2c9-sub | 0.545 |
CYP2d6-inh | 0.222 |
CYP2d6-sub | 0.2 |
CYP3a4-inh | 0.278 |
CYP3a4-sub | 0.051 |
CL | 7.395 |
T12 | 0.934 |
hERG | 0.165 |
Ames | 0.478 |
ROA | 0.04 |
SkinSen | 0.919 |
Carcinogencity | 0.024 |
EI | 0.918 |
Respiratory | 0.093 |
NR-Aromatase | 0.895 |
Antiviral | Yes |
Prediction | 0.85427 |