Chemoinformaics analysis of Lyral
Molecular Weight | 210.317 | nRot | 5 |
Heavy Atom Molecular Weight | 188.141 | nRig | 17 |
Exact Molecular Weight | 210.162 | nRing | 1 |
Solubility: LogS | -3.615 | nHRing | 0 |
Solubility: LogP | 1.4 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 37.9834 |
nHD | 1 | BPOL | 22.9386 |
QED | 0.598 |
Synth | 3.658 |
Natural Product Likeliness | 1.923 |
NR-PPAR-gamma | 0.745 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.026 |
HIA | 0.042 |
CACO-2 | -4.951 |
MDCK | 0.0000062 |
BBB | 0.034 |
PPB | 0.959883 |
VDSS | 0.492 |
FU | 0.0602857 |
CYP1A2-inh | 0.037 |
CYP1A2-sub | 0.929 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.894 |
CYP2c9-inh | 0.044 |
CYP2c9-sub | 0.771 |
CYP2d6-inh | 0.046 |
CYP2d6-sub | 0.807 |
CYP3a4-inh | 0.439 |
CYP3a4-sub | 0.883 |
CL | 11.974 |
T12 | 0.745 |
hERG | 0.026 |
Ames | 0.042 |
ROA | 0.159 |
SkinSen | 0.224 |
Carcinogencity | 0.031 |
EI | 0.031 |
Respiratory | 0.171 |
NR-Aromatase | 0.862 |
Antiviral | Yes |
Prediction | 0.72991 |