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AURORAFEINCHEMIE-ZINC05423948

 MMsINC code: MMs00475211
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCC(CC1)C)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-4-10(3)11(12(16)17)14-13(18)15-7-5-9(2)6-8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/p-1/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=11.0483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -2.26997  SlogP: 0.5925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171318  Sterimol/B1: 2.35788  Sterimol/B2: 3.73377  Sterimol/B3: 4.08917
  Sterimol/B4: 7.57456  Sterimol/L: 13.0979 
 
 Surface and Volume Properties
  Accessible surface: 489.642  Positive charged surface: 342.6  Negative charged surface: 147.042  Volume: 262.5
  Hydrophobic surface: 328.283  Hydrophilic surface: 161.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs00475210
AURORAFEINCHEMIE-ZINC05423948