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AURORAFEINCHEMIE-ZINC04090041

 MMsINC code: MMs00468496
Type: Ionized
Formula: C14H27N2O3-
SMILES:   O=C([O-])C(NC(=O)NCC(CCCC)CC)C(C)C
InChI:   InChI=1/C14H28N2O3/c1-5-7-8-11(6-2)9-15-14(19)16-12(10(3)4)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)/p-1/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.09041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.381 g/mol  logS: -3.383  SlogP: 1.2765  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0558696  Sterimol/B1: 2.84345  Sterimol/B2: 3.6064  Sterimol/B3: 3.6237
  Sterimol/B4: 6.57537  Sterimol/L: 17.0195 
 
 Surface and Volume Properties
  Accessible surface: 561.218  Positive charged surface: 395.474  Negative charged surface: 165.744  Volume: 291.875
  Hydrophobic surface: 359.854  Hydrophilic surface: 201.364
 
 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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Parent related molecule:


MMs00468495
AURORAFEINCHEMIE-ZINC04090041