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NCID-ZINC01621589

 MMsINC code: MMs02269464
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-/m0/s1

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Potential Energy
Epot(MMFF94)=35.622 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: 0.157611  Sterimol/B1: 2.52975  Sterimol/B2: 2.73144  Sterimol/B3: 4.71259
  Sterimol/B4: 6.85613  Sterimol/L: 14.4942 
 
 Surface and Volume Properties
  Accessible surface: 479.433  Positive charged surface: 321.248  Negative charged surface: 158.184  Volume: 248.25
  Hydrophobic surface: 308.528  Hydrophilic surface: 170.905
 
 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.