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NCID-ZINC01623479

 MMsINC code: MMs02270810
Type: Neutral
Formula: C11H21ClN2O
SMILES:   ClCCNC(=O)NC1CC(CC(C1)C)C
InChI:   InChI=1/C11H21ClN2O/c1-8-5-9(2)7-10(6-8)14-11(15)13-4-3-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=2.34086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.755 g/mol  logS: -2.87119  SlogP: 2.3491  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0709904  Sterimol/B1: 2.24296  Sterimol/B2: 2.30435  Sterimol/B3: 4.15737
  Sterimol/B4: 6.21076  Sterimol/L: 15.5006 
 
 Surface and Volume Properties
  Accessible surface: 471.946  Positive charged surface: 324.912  Negative charged surface: 147.034  Volume: 232.625
  Hydrophobic surface: 299.23  Hydrophilic surface: 172.716
 
 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.