Chemoinformaics analysis of Lycoricidine
Molecular Weight | 291.259 | nRot | 0 |
Heavy Atom Molecular Weight | 278.155 | nRig | 21 |
Exact Molecular Weight | 291.074 | nRing | 4 |
Solubility: LogS | -2.089 | nHRing | 2 |
Solubility: LogP | -0.115 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 6 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 37.9603 |
nHD | 4 | BPOL | 17.9517 |
QED | 0.489 |
Synth | 4.105 |
Natural Product Likeliness | 1.663 |
NR-PPAR-gamma | 0.016 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.01 |
Pgp-sub | 0.567 |
HIA | 0.029 |
CACO-2 | -5.336 |
MDCK | 0.00000796 |
BBB | 0.334 |
PPB | 0.659539 |
VDSS | 1.059 |
FU | 0.425384 |
CYP1A2-inh | 0.372 |
CYP1A2-sub | 0.081 |
CYP2c19-inh | 0.041 |
CYP2c19-sub | 0.132 |
CYP2c9-inh | 0.024 |
CYP2c9-sub | 0.191 |
CYP2d6-inh | 0.07 |
CYP2d6-sub | 0.141 |
CYP3a4-inh | 0.177 |
CYP3a4-sub | 0.102 |
CL | 5.73 |
T12 | 0.683 |
hERG | 0.061 |
Ames | 0.343 |
ROA | 0.027 |
SkinSen | 0.203 |
Carcinogencity | 0.593 |
EI | 0.02 |
Respiratory | 0.254 |
NR-Aromatase | 0.031 |
Antiviral | Yes |
Prediction | 0.782608 |