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NCID-ZINC01575463

 MMsINC code: MMs02234292
Type: Ionized
Formula: C10H16ClN2O4-
SMILES:   ClCC(=O)NC(CC(C)C)C(=O)NCC(=O)[O-]
InChI:   InChI=1/C10H17ClN2O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=38.5638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.701 g/mol  logS: -2.51667  SlogP: -1.3778  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.153959  Sterimol/B1: 2.21478  Sterimol/B2: 2.80652  Sterimol/B3: 4.86095
  Sterimol/B4: 7.41281  Sterimol/L: 13.8062 
 
 Surface and Volume Properties
  Accessible surface: 481.491  Positive charged surface: 264.159  Negative charged surface: 217.332  Volume: 237.75
  Hydrophobic surface: 217.67  Hydrophilic surface: 263.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs02234291
NCID-ZINC01575463