Chemoinformaics analysis of Lysozyme
Molecular Weight | 2235.6 | nRot | 70 |
Heavy Atom Molecular Weight | 2075.32 | nRig | 51 |
Exact Molecular Weight | 2234.24 | nRing | 5 |
Solubility: LogS | -2.502 | nHRing | 3 |
Solubility: LogP | -3.559 | No. of Aliphatic Rings | 1 |
Acid Count | 2 | No. of Aromatic Rings | 4 |
Base Count | 16 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 318 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 159 | No. of Aromatic Carbocycles | 2 |
nHetero | 60 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 159 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 99 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 37 | No. of Arom Atom | 18 |
No. of Oxygen atom | 23 | No. of Arom Bond | 20 |
nHA | 27 | APOL | 330.496 |
nHD | 38 | BPOL | 187.998 |
QED | 0.011 |
Synth | 7.989 |
Natural Product Likeliness | 0.078 |
NR-PPAR-gamma | 0.002 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 1 |
HIA | 1 |
CACO-2 | -6.834 |
MDCK | 0.00000285 |
BBB | 0.005 |
PPB | 0.313818 |
VDSS | 0.319 |
FU | 0.209171 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.002 |
CYP2c9-inh | 0.023 |
CYP2c9-sub | 0 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.011 |
CYP3a4-inh | 0 |
CYP3a4-sub | 0 |
CL | -1.114 |
T12 | 0.468 |
hERG | 0 |
Ames | 0 |
ROA | 0.991 |
SkinSen | 0.003 |
Carcinogencity | 0 |
EI | 0 |
Respiratory | 0.002 |
NR-Aromatase | 0 |
Antiviral | Yes |
Prediction | 0.888687 |