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NCID-ZINC01640357

 MMsINC code: MMs02282403
Type: Ionized
Formula: C10H16ClN2O3-
SMILES:   ClCCNC(=O)NC1CC(CCC1)C(=O)[O-]
InChI:   InChI=1/C10H17ClN2O3/c11-4-5-12-10(16)13-8-3-1-2-7(6-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)/p-1/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=-14.7531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.702 g/mol  logS: -1.3383  SlogP: -0.1669  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0698867  Sterimol/B1: 2.4151  Sterimol/B2: 2.94263  Sterimol/B3: 3.1576
  Sterimol/B4: 6.4219  Sterimol/L: 15.6529 
 
 Surface and Volume Properties
  Accessible surface: 465.948  Positive charged surface: 289.756  Negative charged surface: 176.192  Volume: 223.5
  Hydrophobic surface: 247.259  Hydrophilic surface: 218.689
 
 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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MMs02282402
NCID-ZINC01640357