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NCID-ZINC01621590

MMsINC code: MMs02269465

Type: Neutral
Formula: C12H23ClN2O
SMILES:   ClCCNC(=O)NC1CC(CC(C1)C)(C)C
InChI:   InChI=1/C12H23ClN2O/c1-9-6-10(8-12(2,3)7-9)15-11(16)14-5-4-13/h9-10H,4-8H2,1-3H3,(H2,14,15,16)/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=11.4862 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: 0.0906314  Sterimol/B1: 2.21474  Sterimol/B2: 2.9319  Sterimol/B3: 3.70952
  Sterimol/B4: 7.35778  Sterimol/L: 15.4449 
 
 Surface and Volume Properties
  Accessible surface: 497.614  Positive charged surface: 337.348  Negative charged surface: 160.266  Volume: 250.5
  Hydrophobic surface: 305.147  Hydrophilic surface: 192.467
 
 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.