Chemoinformaics analysis of Lyngbic acid
Molecular Weight | 256.386 | nRot | 12 |
Heavy Atom Molecular Weight | 228.162 | nRig | 2 |
Exact Molecular Weight | 256.204 | nRing | 0 |
Solubility: LogS | -3.48 | nHRing | 0 |
Solubility: LogP | 4.015 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 46.1262 |
nHD | 1 | BPOL | 30.6938 |
QED | 0.421 |
Synth | 2.863 |
Natural Product Likeliness | 2.05 |
NR-PPAR-gamma | 0.97 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.002 |
HIA | 0.007 |
CACO-2 | -4.556 |
MDCK | 0.0000413 |
BBB | 0.482 |
PPB | 0.965274 |
VDSS | 0.367 |
FU | 0.0316607 |
CYP1A2-inh | 0.029 |
CYP1A2-sub | 0.502 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.709 |
CYP2c9-inh | 0.027 |
CYP2c9-sub | 0.938 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.136 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.038 |
CL | 5.666 |
T12 | 0.716 |
hERG | 0.027 |
Ames | 0.005 |
ROA | 0.007 |
SkinSen | 0.89 |
Carcinogencity | 0.312 |
EI | 0.942 |
Respiratory | 0.126 |
NR-Aromatase | 0.044 |
Antiviral | Yes |
Prediction | 0.783004 |