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NCID-ZINC01694818

 MMsINC code: MMs02325946
Type: Neutral
Formula: C9H18N2O4
SMILES:   OC(=O)CNCCCCCNCC(O)=O
InChI:   InChI=1/C9H18N2O4/c12-8(13)6-10-4-2-1-3-5-11-7-9(14)15/h10-11H,1-7H2,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=27.6942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.253 g/mol  logS: 0.27859  SlogP: -0.4949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193465  Sterimol/B1: 2.11454  Sterimol/B2: 2.42057  Sterimol/B3: 2.42139
  Sterimol/B4: 3.88151  Sterimol/L: 18.8202 
 
 Surface and Volume Properties
  Accessible surface: 478.982  Positive charged surface: 356.916  Negative charged surface: 122.066  Volume: 212.75
  Hydrophobic surface: 242.06  Hydrophilic surface: 236.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.