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NCID-ZINC05023605

 MMsINC code: MMs02429284
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-16.8315 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: 0.123089  Sterimol/B1: 2.40072  Sterimol/B2: 2.82452  Sterimol/B3: 4.15361
  Sterimol/B4: 6.10833  Sterimol/L: 13.6966 
 
 Surface and Volume Properties
  Accessible surface: 464.02  Positive charged surface: 280.658  Negative charged surface: 183.362  Volume: 222.375
  Hydrophobic surface: 253.647  Hydrophilic surface: 210.373
 
 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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MMs02429283
NCID-ZINC05023605