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AURORAFEINCHEMIE-ZINC02393364

 MMsINC code: MMs00453026
Type: Ionized
Formula: C10H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(CC)C)C(C)C
InChI:   InChI=1/C10H20N2O3/c1-5-7(4)11-10(15)12-8(6(2)3)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=-1.20239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -1.44756  SlogP: -0.1414  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0660476  Sterimol/B1: 2.93804  Sterimol/B2: 3.02907  Sterimol/B3: 3.52236
  Sterimol/B4: 5.6609  Sterimol/L: 12.9776 
 
 Surface and Volume Properties
  Accessible surface: 452.283  Positive charged surface: 294.738  Negative charged surface: 157.545  Volume: 220.875
  Hydrophobic surface: 259.604  Hydrophilic surface: 192.679
 
 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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Parent related molecule:


MMs00453025
AURORAFEINCHEMIE-ZINC02393364