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NCID-ZINC01870725

 MMsINC code: MMs02376262
Type: Neutral
Formula: C11H21ClN2O
SMILES:   ClCCNC(=O)NC1CCC(CC1)(C)C
InChI:   InChI=1/C11H21ClN2O/c1-11(2)5-3-9(4-6-11)14-10(15)13-8-7-12/h9H,3-8H2,1-2H3,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=7.24871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.755 g/mol  logS: -2.87119  SlogP: 2.4932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0770883  Sterimol/B1: 2.86054  Sterimol/B2: 3.07034  Sterimol/B3: 4.00585
  Sterimol/B4: 4.09888  Sterimol/L: 15.9961 
 
 Surface and Volume Properties
  Accessible surface: 471.855  Positive charged surface: 319.914  Negative charged surface: 151.941  Volume: 233.5
  Hydrophobic surface: 300.36  Hydrophilic surface: 171.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.