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ASINEX-ZINC00421905

 MMsINC code: MMs00134005
Type: Neutral
Formula: C10H10N2O4S
SMILES:   S(CC(OCC)=O)c1oc(nn1)-c1occc1
InChI:   InChI=1/C10H10N2O4S/c1-2-14-8(13)6-17-10-12-11-9(16-10)7-4-3-5-15-7/h3-5H,2,6H2,1H3

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Potential Energy
Epot(MMFF94)=28.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.266 g/mol  logS: -5.27788  SlogP: 1.9848  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00731996  Sterimol/B1: 2.37503  Sterimol/B2: 2.37522  Sterimol/B3: 2.82765
  Sterimol/B4: 4.32475  Sterimol/L: 18.1362 
 
 Surface and Volume Properties
  Accessible surface: 483.216  Positive charged surface: 259.964  Negative charged surface: 223.252  Volume: 219.375
  Hydrophobic surface: 290.902  Hydrophilic surface: 192.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.