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IBS-ZINC00539360

 MMsINC code: MMs01750391
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCC(CC1)C)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)8-12(13(17)18)16-14(19)15-11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=2.67764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -3.4064  SlogP: 1.0289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.144274  Sterimol/B1: 2.32107  Sterimol/B2: 3.65368  Sterimol/B3: 5.49959
  Sterimol/B4: 5.88372  Sterimol/L: 13.6616 
 
 Surface and Volume Properties
  Accessible surface: 527.891  Positive charged surface: 367.161  Negative charged surface: 160.73  Volume: 280.125
  Hydrophobic surface: 350.323  Hydrophilic surface: 177.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs01750390
IBS-ZINC00539360