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AURORAFEINCHEMIE-ZINC02419310

 MMsINC code: MMs00453314
Type: Ionized
Formula: C10H19N2O3S-
SMILES:   S(CCC(NC(=O)NC(CC)C)C(=O)[O-])C
InChI:   InChI=1/C10H20N2O3S/c1-4-7(2)11-10(15)12-8(9(13)14)5-6-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=-3.51775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.339 g/mol  logS: -1.91046  SlogP: -0.0443  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0706795  Sterimol/B1: 2.55967  Sterimol/B2: 3.76102  Sterimol/B3: 5.21759
  Sterimol/B4: 5.47484  Sterimol/L: 13.5381 
 
 Surface and Volume Properties
  Accessible surface: 496.052  Positive charged surface: 299.518  Negative charged surface: 196.534  Volume: 239.5
  Hydrophobic surface: 286.125  Hydrophilic surface: 209.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs00453313
AURORAFEINCHEMIE-ZINC02419310