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ENAMINE-ZINC02476140

 MMsINC code: MMs01251332
Type: Neutral
Formula: C12H18N2O2
SMILES:   O=C1N(CCCCC)C(=O)NC2=C1CCC2
InChI:   InChI=1/C12H18N2O2/c1-2-3-4-8-14-11(15)9-6-5-7-10(9)13-12(14)16/h2-8H2,1H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=-6.00543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.288 g/mol  logS: -2.28932  SlogP: 2.1664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543932  Sterimol/B1: 2.85153  Sterimol/B2: 3.3183  Sterimol/B3: 3.64983
  Sterimol/B4: 4.79985  Sterimol/L: 14.9361 
 
 Surface and Volume Properties
  Accessible surface: 458.893  Positive charged surface: 330.601  Negative charged surface: 128.292  Volume: 224
  Hydrophobic surface: 337.774  Hydrophilic surface: 121.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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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Ions/Tautomers related molecules: no related molecules available.