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ASINEX-ZINC04511296

 MMsINC code: MMs00345940
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CCCC1)C(C)C
InChI:   InChI=1/C13H22N2O2/c1-9(2)15-8-10(7-12(15)16)13(17)14-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,14,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=16.1055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -1.22727  SlogP: 1.3021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772352  Sterimol/B1: 2.59741  Sterimol/B2: 2.87672  Sterimol/B3: 4.2629
  Sterimol/B4: 4.41287  Sterimol/L: 15.1896 
 
 Surface and Volume Properties
  Accessible surface: 487.14  Positive charged surface: 359.037  Negative charged surface: 128.103  Volume: 247.875
  Hydrophobic surface: 381.361  Hydrophilic surface: 105.779
 
 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.