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AURORAFEINCHEMIE-ZINC02406428

 MMsINC code: MMs00453127
Type: Ionized
Formula: C10H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(C)C)CC(C)C
InChI:   InChI=1/C10H20N2O3/c1-6(2)5-8(9(13)14)12-10(15)11-7(3)4/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.7829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -2.07446  SlogP: -0.1414  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.149612  Sterimol/B1: 2.54177  Sterimol/B2: 2.54704  Sterimol/B3: 4.50111
  Sterimol/B4: 6.9761  Sterimol/L: 12.1624 
 
 Surface and Volume Properties
  Accessible surface: 459.483  Positive charged surface: 304.319  Negative charged surface: 155.164  Volume: 221.625
  Hydrophobic surface: 257.488  Hydrophilic surface: 201.995
 
 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:


MMs00453126
AURORAFEINCHEMIE-ZINC02406428