Chemoinformaics analysis of Lasiodiplodin
Molecular Weight | 292.375 | nRot | 1 |
Heavy Atom Molecular Weight | 268.183 | nRig | 18 |
Exact Molecular Weight | 292.167 | nRing | 2 |
Solubility: LogS | -4.069 | nHRing | 1 |
Solubility: LogP | 4.269 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 47.601 |
nHD | 1 | BPOL | 28.417 |
QED | 0.799 |
Synth | 3.168 |
Natural Product Likeliness | 1.356 |
NR-PPAR-gamma | 0.849 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.002 |
HIA | 0.003 |
CACO-2 | -4.715 |
MDCK | 0.0000315 |
BBB | 0.731 |
PPB | 0.96636 |
VDSS | 0.77 |
FU | 0.0200983 |
CYP1A2-inh | 0.954 |
CYP1A2-sub | 0.726 |
CYP2c19-inh | 0.851 |
CYP2c19-sub | 0.314 |
CYP2c9-inh | 0.586 |
CYP2c9-sub | 0.962 |
CYP2d6-inh | 0.888 |
CYP2d6-sub | 0.874 |
CYP3a4-inh | 0.659 |
CYP3a4-sub | 0.111 |
CL | 9.88 |
T12 | 0.54 |
hERG | 0.025 |
Ames | 0.033 |
ROA | 0.019 |
SkinSen | 0.852 |
Carcinogencity | 0.058 |
EI | 0.849 |
Respiratory | 0.58 |
NR-Aromatase | 0.505 |
Antiviral | Yes |
Prediction | 0.602559 |