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AURORAFEINCHEMIE-ZINC05163151

 MMsINC code: MMs00472535
Type: Ionized
Formula: C11H19N2O4-
SMILES:   O1CCCC1CNC(=O)NC(C(C)C)C(=O)[O-]
InChI:   InChI=1/C11H20N2O4/c1-7(2)9(10(14)15)13-11(16)12-6-8-4-3-5-17-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/p-1/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=10.0343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.283 g/mol  logS: -1.28639  SlogP: -0.7609  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0992996  Sterimol/B1: 2.18271  Sterimol/B2: 3.20675  Sterimol/B3: 3.96302
  Sterimol/B4: 6.54038  Sterimol/L: 14.2247 
 
 Surface and Volume Properties
  Accessible surface: 480.028  Positive charged surface: 335.735  Negative charged surface: 144.293  Volume: 236.125
  Hydrophobic surface: 308.086  Hydrophilic surface: 171.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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:


MMs00472534
AURORAFEINCHEMIE-ZINC05163151