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NCID-ZINC01716884

 MMsINC code: MMs02342460
Type: Neutral
Formula: C12H23ClN2O
SMILES:   ClCCNC(=O)NC1CCC(CC1)C(C)C
InChI:   InChI=1/C12H23ClN2O/c1-9(2)10-3-5-11(6-4-10)15-12(16)14-8-7-13/h9-11H,3-8H2,1-2H3,(H2,14,15,16)/t10-,11+

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Potential Energy
Epot(MMFF94)=4.67101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.782 g/mol  logS: -3.38641  SlogP: 2.7392  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.127358  Sterimol/B1: 2.3987  Sterimol/B2: 3.19556  Sterimol/B3: 4.93327
  Sterimol/B4: 5.06081  Sterimol/L: 15.4256 
 
 Surface and Volume Properties
  Accessible surface: 496.198  Positive charged surface: 334.946  Negative charged surface: 161.252  Volume: 251.25
  Hydrophobic surface: 329.773  Hydrophilic surface: 166.425
 
 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.