Chemoinformaics analysis of Lysicamine
Molecular Weight | 291.306 | nRot | 2 |
Heavy Atom Molecular Weight | 278.202 | nRig | 21 |
Exact Molecular Weight | 291.09 | nRing | 4 |
Solubility: LogS | -5.507 | nHRing | 1 |
Solubility: LogP | 3.261 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 3 | No. of Arom Bond | 17 |
nHA | 4 | APOL | 42.2343 |
nHD | 0 | BPOL | 18.5217 |
QED | 0.567 |
Synth | 2.303 |
Natural Product Likeliness | 0.901 |
NR-PPAR-gamma | 0.551 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.298 |
Pgp-sub | 0 |
HIA | 0.003 |
CACO-2 | -4.797 |
MDCK | 0.000017 |
BBB | 0.467 |
PPB | 0.953054 |
VDSS | 0.59 |
FU | 0.0224997 |
CYP1A2-inh | 0.924 |
CYP1A2-sub | 0.939 |
CYP2c19-inh | 0.806 |
CYP2c19-sub | 0.432 |
CYP2c9-inh | 0.678 |
CYP2c9-sub | 0.882 |
CYP2d6-inh | 0.076 |
CYP2d6-sub | 0.859 |
CYP3a4-inh | 0.703 |
CYP3a4-sub | 0.314 |
CL | 3.608 |
T12 | 0.215 |
hERG | 0.091 |
Ames | 0.872 |
ROA | 0.219 |
SkinSen | 0.073 |
Carcinogencity | 0.899 |
EI | 0.444 |
Respiratory | 0.875 |
NR-Aromatase | 0.856 |
Antiviral | Yes |
Prediction | 0.73469 |