Chemoinformaics analysis of Lycodoline
Molecular Weight | 263.381 | nRot | 0 |
Heavy Atom Molecular Weight | 238.181 | nRig | 20 |
Exact Molecular Weight | 263.189 | nRing | 4 |
Solubility: LogS | -2.659 | nHRing | 2 |
Solubility: LogP | 2.445 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 25 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 16 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 46.0938 |
nHD | 1 | BPOL | 27.6582 |
QED | 0.726 |
Synth | 5.62 |
Natural Product Likeliness | 2.385 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.013 |
Pgp-sub | 0.981 |
HIA | 0.008 |
CACO-2 | -4.79 |
MDCK | 0.00000733 |
BBB | 0.987 |
PPB | 0.174609 |
VDSS | 4.737 |
FU | 0.822207 |
CYP1A2-inh | 0.03 |
CYP1A2-sub | 0.445 |
CYP2c19-inh | 0.075 |
CYP2c19-sub | 0.907 |
CYP2c9-inh | 0.108 |
CYP2c9-sub | 0.123 |
CYP2d6-inh | 0.203 |
CYP2d6-sub | 0.509 |
CYP3a4-inh | 0.376 |
CYP3a4-sub | 0.769 |
CL | 14.017 |
T12 | 0.196 |
hERG | 0.031 |
Ames | 0.07 |
ROA | 0.855 |
SkinSen | 0.472 |
Carcinogencity | 0.946 |
EI | 0.081 |
Respiratory | 0.948 |
NR-Aromatase | 0.08 |
Antiviral | Yes |
Prediction | 0.612554 |