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IBS-ZINC00537389

 MMsINC code: MMs01749944
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1CC)C(CC)C
InChI:   InChI=1/C14H26N2O3/c1-4-10(3)12(13(17)18)15-14(19)16-9-7-6-8-11(16)5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/p-1/t10-,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=18.7787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -2.28373  SlogP: 1.1251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122269  Sterimol/B1: 2.5126  Sterimol/B2: 3.73694  Sterimol/B3: 4.0712
  Sterimol/B4: 7.66932  Sterimol/L: 12.6308 
 
 Surface and Volume Properties
  Accessible surface: 514.525  Positive charged surface: 360.656  Negative charged surface: 153.869  Volume: 278.625
  Hydrophobic surface: 364.723  Hydrophilic surface: 149.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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MMs01749943
IBS-ZINC00537389