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NCID-ZINC01614939

 MMsINC code: MMs02264709
Type: Neutral
Formula: C10H19ClN2O
SMILES:   ClCCNC(=O)NC1CC(CCC1)C
InChI:   InChI=1/C10H19ClN2O/c1-8-3-2-4-9(7-8)13-10(14)12-6-5-11/h8-9H,2-7H2,1H3,(H2,12,13,14)/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.83541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.728 g/mol  logS: -2.35597  SlogP: 2.1031  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114868  Sterimol/B1: 2.32455  Sterimol/B2: 3.46534  Sterimol/B3: 3.52626
  Sterimol/B4: 5.72434  Sterimol/L: 14.6104 
 
 Surface and Volume Properties
  Accessible surface: 447.675  Positive charged surface: 306.392  Negative charged surface: 141.283  Volume: 218.125
  Hydrophobic surface: 300.9  Hydrophilic surface: 146.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.