Chemoinformaics analysis of LUCICULINE
Molecular Weight | 359.51 | nRot | 1 |
Heavy Atom Molecular Weight | 326.246 | nRig | 25 |
Exact Molecular Weight | 359.246 | nRing | 6 |
Solubility: LogS | -4.039 | nHRing | 1 |
Solubility: LogP | 1.221 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 59 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 7 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 33 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 22 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 62.2502 |
nHD | 3 | BPOL | 34.8158 |
QED | 0.625 |
Synth | 7.46 |
Natural Product Likeliness | 3.851 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.025 |
HIA | 0.408 |
CACO-2 | -4.953 |
MDCK | 0.0000522 |
BBB | 0.795 |
PPB | 0.332157 |
VDSS | 2.089 |
FU | 0.681146 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.103 |
CYP2c19-inh | 0.006 |
CYP2c19-sub | 0.87 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.08 |
CYP2d6-inh | 0.02 |
CYP2d6-sub | 0.548 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.211 |
CL | 8.088 |
T12 | 0.035 |
hERG | 0.048 |
Ames | 0.025 |
ROA | 0.212 |
SkinSen | 0.022 |
Carcinogencity | 0.062 |
EI | 0.007 |
Respiratory | 0.956 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.559845 |