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AURORAFEINCHEMIE-ZINC05277608

 MMsINC code: MMs00473457
Type: Ionized
Formula: C14H23N2O3-
SMILES:   O=C([O-])C(NC(=O)NCCC=1CCCCC=1)C(C)C
InChI:   InChI=1/C14H24N2O3/c1-10(2)12(13(17)18)16-14(19)15-9-8-11-6-4-3-5-7-11/h6,10,12H,3-5,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=2.62191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.349 g/mol  logS: -2.55872  SlogP: 0.9506  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0360582  Sterimol/B1: 3.11571  Sterimol/B2: 3.32309  Sterimol/B3: 3.34891
  Sterimol/B4: 5.1803  Sterimol/L: 16.7856 
 
 Surface and Volume Properties
  Accessible surface: 543.689  Positive charged surface: 378.747  Negative charged surface: 164.942  Volume: 275.125
  Hydrophobic surface: 364.693  Hydrophilic surface: 178.996
 
 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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MMs00473456
AURORAFEINCHEMIE-ZINC05277608