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NCID-ZINC01640356

 MMsINC code: MMs02282401
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)=-16.8307 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: 0.123003  Sterimol/B1: 2.4056  Sterimol/B2: 2.81962  Sterimol/B3: 4.15048
  Sterimol/B4: 6.10656  Sterimol/L: 13.7 
 
 Surface and Volume Properties
  Accessible surface: 460.872  Positive charged surface: 277.344  Negative charged surface: 183.528  Volume: 222.25
  Hydrophobic surface: 250.195  Hydrophilic surface: 210.677
 
 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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MMs02282400
NCID-ZINC01640356