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ENAMINE-ZINC03505913

 MMsINC code: MMs01479742
Type: Neutral
Formula: C15H22N2O3
SMILES:   O=C1N(CC(=O)NC2CCCC2)C(=O)C2C1CCCC2
InChI:   InChI=1/C15H22N2O3/c18-13(16-10-5-1-2-6-10)9-17-14(19)11-7-3-4-8-12(11)15(17)20/h10-12H,1-9H2,(H,16,18)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=23.8145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.352 g/mol  logS: -2.41754  SlogP: 1.2204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628141  Sterimol/B1: 2.36703  Sterimol/B2: 2.96898  Sterimol/B3: 4.35996
  Sterimol/B4: 5.70616  Sterimol/L: 15.9047 
 
 Surface and Volume Properties
  Accessible surface: 526.201  Positive charged surface: 383.028  Negative charged surface: 143.174  Volume: 271.375
  Hydrophobic surface: 412.451  Hydrophilic surface: 113.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.