Chemoinformaics analysis of MURAMIDASE
Molecular Weight | 2899.32 | nRot | 96 |
Heavy Atom Molecular Weight | 2701.75 | nRig | 56 |
Exact Molecular Weight | 2897.42 | nRing | 4 |
Solubility: LogS | -0.865 | nHRing | 1 |
Solubility: LogP | -3.376 | No. of Aliphatic Rings | 0 |
Acid Count | 3 | No. of Aromatic Rings | 4 |
Base Count | 11 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 399 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 203 | No. of Aromatic Carbocycles | 3 |
nHetero | 78 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 196 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 125 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 40 | No. of Arom Atom | 23 |
No. of Oxygen atom | 36 | No. of Arom Bond | 23 |
nHA | 41 | APOL | 418.113 |
nHD | 46 | BPOL | 241.269 |
QED | 0.008 |
Synth | 9.037 |
Natural Product Likeliness | 0.126 |
NR-PPAR-gamma | 0 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.993 |
HIA | 1 |
CACO-2 | -9.751 |
MDCK | 0.000000374 |
BBB | 0 |
PPB | 0.283657 |
VDSS | 0.356 |
FU | 0.30108 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.001 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.001 |
CYP3a4-inh | 0 |
CYP3a4-sub | 0 |
CL | -2.254 |
T12 | 0.823 |
hERG | 0 |
Ames | 0 |
ROA | 0.799 |
SkinSen | 0.003 |
Carcinogencity | 0 |
EI | 0 |
Respiratory | 0 |
NR-Aromatase | 0 |
Antiviral | Yes |
Prediction | 0.873638 |