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AURORAFEINCHEMIE-ZINC05272037

 MMsINC code: MMs00473419
Type: Ionized
Formula: C11H21N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(CCCCC)C)C
InChI:   InChI=1/C11H22N2O3/c1-4-5-6-7-8(2)12-11(16)13-9(3)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/p-1/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.00767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -2.58968  SlogP: 0.3928  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0794795  Sterimol/B1: 2.48843  Sterimol/B2: 3.59006  Sterimol/B3: 3.91916
  Sterimol/B4: 7.40093  Sterimol/L: 15.2492 
 
 Surface and Volume Properties
  Accessible surface: 508.299  Positive charged surface: 346.123  Negative charged surface: 162.175  Volume: 239.25
  Hydrophobic surface: 315.119  Hydrophilic surface: 193.18
 
 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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MMs00473418
AURORAFEINCHEMIE-ZINC05272037