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PUBCHEM-ZINC05907352

 MMsINC code: MMs03439212
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCC(CC1)C)C(CC)C
InChI:   InChI=1/C14H26N2O3/c1-4-10(3)12(13(17)18)16-14(19)15-11-7-5-9(2)6-8-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t9-,10-,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=2.51021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -3.09295  SlogP: 1.0289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156915  Sterimol/B1: 2.19758  Sterimol/B2: 3.49803  Sterimol/B3: 4.48551
  Sterimol/B4: 7.14159  Sterimol/L: 13.6394 
 
 Surface and Volume Properties
  Accessible surface: 521.354  Positive charged surface: 357.714  Negative charged surface: 163.64  Volume: 277.5
  Hydrophobic surface: 344.213  Hydrophilic surface: 177.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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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MMs03439211
PUBCHEM-ZINC05907352