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ENAMINE-ZINC02633256

 MMsINC code: MMs01263761
Type: Tautomer
Formula: C10H18N2O3
SMILES:   O(C(=O)CCN1CCC(CC1)C(=O)N)C
InChI:   InChI=1/C10H18N2O3/c1-15-9(13)4-7-12-5-2-8(3-6-12)10(11)14/h8H,2-7H2,1H3,(H2,11,14)

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Potential Energy
Epot(MMFF94)=8.83574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.36594  SlogP: -0.2532  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0450501  Sterimol/B1: 2.91119  Sterimol/B2: 2.91197  Sterimol/B3: 3.07429
  Sterimol/B4: 4.59527  Sterimol/L: 15.294 
 
 Surface and Volume Properties
  Accessible surface: 444.871  Positive charged surface: 356.832  Negative charged surface: 88.0384  Volume: 210.625
  Hydrophobic surface: 300.271  Hydrophilic surface: 144.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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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Parent related molecule:


MMs01263760
ENAMINE-ZINC02633256