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IBS-ZINC02424081

 MMsINC code: MMs01859471
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(CCNC(=O)NC(CC(C)C)C(O)=O)C
InChI:   InChI=1/C10H20N2O4/c1-7(2)6-8(9(13)14)12-10(15)11-4-5-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=9.23399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -1.30223  SlogP: 0.4313  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0867503  Sterimol/B1: 2.45587  Sterimol/B2: 2.53717  Sterimol/B3: 4.14701
  Sterimol/B4: 7.54002  Sterimol/L: 13.8392 
 
 Surface and Volume Properties
  Accessible surface: 491.978  Positive charged surface: 376.656  Negative charged surface: 115.322  Volume: 231.625
  Hydrophobic surface: 306.528  Hydrophilic surface: 185.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs01859472
IBS-ZINC02424081