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AURORAFEINCHEMIE-ZINC02405733

 MMsINC code: MMs00453122
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(C(C)C)CCCNC(=O)NC(C(O)=O)C
InChI:   InChI=1/C10H20N2O4/c1-7(2)16-6-4-5-11-10(15)12-8(3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.02746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.92621  SlogP: 0.5738  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0406114  Sterimol/B1: 2.39976  Sterimol/B2: 2.42126  Sterimol/B3: 4.00012
  Sterimol/B4: 4.5797  Sterimol/L: 17.4153 
 
 Surface and Volume Properties
  Accessible surface: 508.247  Positive charged surface: 362.702  Negative charged surface: 145.544  Volume: 230
  Hydrophobic surface: 279.969  Hydrophilic surface: 228.278
 
 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


MMs00453123
AURORAFEINCHEMIE-ZINC02405733