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PUBCHEM-ZINC06855213

 MMsINC code: MMs03875018
Type: Neutral
Formula: C10H18N2O4
SMILES:   OC(=O)CN1CCCN(CCC1)CC(O)=O
InChI:   InChI=1/C10H18N2O4/c13-9(14)7-11-3-1-4-12(6-2-5-11)8-10(15)16/h1-8H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=91.1582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: 0.06962  SlogP: -0.4466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207996  Sterimol/B1: 2.39482  Sterimol/B2: 3.32596  Sterimol/B3: 4.41999
  Sterimol/B4: 5.77369  Sterimol/L: 13.1381 
 
 Surface and Volume Properties
  Accessible surface: 422.927  Positive charged surface: 322.645  Negative charged surface: 100.282  Volume: 212.125
  Hydrophobic surface: 243.64  Hydrophilic surface: 179.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.