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AURORAFEINCHEMIE-ZINC05354262

 MMsINC code: MMs00474916
Type: Ionized
Formula: C12H21N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCCCCC1)C
InChI:   InChI=1/C12H22N2O3/c1-9(11(15)16)13-12(17)14-10-7-5-3-2-4-6-8-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=9.82246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -2.68941  SlogP: 0.5369  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0900197  Sterimol/B1: 2.61535  Sterimol/B2: 3.03728  Sterimol/B3: 3.68679
  Sterimol/B4: 5.62775  Sterimol/L: 14.38 
 
 Surface and Volume Properties
  Accessible surface: 477.611  Positive charged surface: 334.921  Negative charged surface: 142.69  Volume: 241.75
  Hydrophobic surface: 321.646  Hydrophilic surface: 155.965
 
 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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Parent related molecule:


MMs00474915
AURORAFEINCHEMIE-ZINC05354262