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PUBCHEM-ZINC00218327

 MMsINC code: MMs02641324
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC1CC1
InChI:   InChI=1/C11H18N2O2/c1-7(2)13-9(5-6-10(13)14)11(15)12-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,12,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=44.3726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.26902  SlogP: 0.6644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119713  Sterimol/B1: 2.12293  Sterimol/B2: 2.53113  Sterimol/B3: 4.78593
  Sterimol/B4: 6.29636  Sterimol/L: 12.0312 
 
 Surface and Volume Properties
  Accessible surface: 440.026  Positive charged surface: 307.502  Negative charged surface: 132.523  Volume: 219.5
  Hydrophobic surface: 302.973  Hydrophilic surface: 137.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.