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NCID-ZINC01628629

 MMsINC code: MMs02274405
Type: Neutral
Formula: C9H18N2O4
SMILES:   OC(=O)CCNCCCNCCC(O)=O
InChI:   InChI=1/C9H18N2O4/c12-8(13)2-6-10-4-1-5-11-7-3-9(14)15/h10-11H,1-7H2,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=-20.0584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.253 g/mol  logS: 0.91829  SlogP: -0.4949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189866  Sterimol/B1: 2.17919  Sterimol/B2: 2.40359  Sterimol/B3: 2.40474
  Sterimol/B4: 3.72362  Sterimol/L: 18.8688 
 
 Surface and Volume Properties
  Accessible surface: 479.35  Positive charged surface: 354.232  Negative charged surface: 125.118  Volume: 211.625
  Hydrophobic surface: 246.896  Hydrophilic surface: 232.454
 
 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.