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AURORAFEINCHEMIE-ZINC02393365

 MMsINC code: MMs00453028
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.2027 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: 0.10719  Sterimol/B1: 2.15009  Sterimol/B2: 3.36746  Sterimol/B3: 4.08337
  Sterimol/B4: 6.23338  Sterimol/L: 12.6244 
 
 Surface and Volume Properties
  Accessible surface: 449.39  Positive charged surface: 292.48  Negative charged surface: 156.91  Volume: 222.375
  Hydrophobic surface: 258.386  Hydrophilic surface: 191.004
 
 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:


MMs00453027
AURORAFEINCHEMIE-ZINC02393365