Chemoinformaics analysis of ISOLYCOPSAMINE
Molecular Weight | 299.367 | nRot | 5 |
Heavy Atom Molecular Weight | 274.167 | nRig | 10 |
Exact Molecular Weight | 299.173 | nRing | 2 |
Solubility: LogS | -1.394 | nHRing | 2 |
Solubility: LogP | 0.821 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 25 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 46.8298 |
nHD | 3 | BPOL | 29.3942 |
QED | 0.476 |
Synth | 4.434 |
Natural Product Likeliness | 2.047 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.01 |
HIA | 0.73 |
CACO-2 | -5.068 |
MDCK | 0.000889501 |
BBB | 0.424 |
PPB | 0.203735 |
VDSS | 1.169 |
FU | 0.766797 |
CYP1A2-inh | 0.02 |
CYP1A2-sub | 0.063 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.425 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.07 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.338 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.297 |
CL | 2.366 |
T12 | 0.667 |
hERG | 0.027 |
Ames | 0.014 |
ROA | 0.807 |
SkinSen | 0.057 |
Carcinogencity | 0.919 |
EI | 0.017 |
Respiratory | 0.534 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.807795 |