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PUBCHEM-ZINC05375986

 MMsINC code: MMs03250394
Type: Neutral
Formula: C10H18N2O4
SMILES:   OC1CCCCC1NCC(=O)NCC(O)=O
InChI:   InChI=1/C10H18N2O4/c13-8-4-2-1-3-7(8)11-5-9(14)12-6-10(15)16/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=46.8778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.27927  SlogP: -0.9197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487868  Sterimol/B1: 2.40477  Sterimol/B2: 3.02181  Sterimol/B3: 3.12815
  Sterimol/B4: 6.0839  Sterimol/L: 15.8348 
 
 Surface and Volume Properties
  Accessible surface: 461.342  Positive charged surface: 337.206  Negative charged surface: 124.136  Volume: 215.75
  Hydrophobic surface: 243.056  Hydrophilic surface: 218.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03250395
PUBCHEM-ZINC05375986