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NCID-ZINC01587761

 MMsINC code: MMs02243470
Type: Neutral
Formula: C11H22N2O4
SMILES:   OC(=O)CN(CCCN(CC)CC)CC(O)=O
InChI:   InChI=1/C11H22N2O4/c1-3-12(4-2)6-5-7-13(8-10(14)15)9-11(16)17/h3-9H2,1-2H3,(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=55.1144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -0.23419  SlogP: 0.1895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703036  Sterimol/B1: 2.90865  Sterimol/B2: 3.15533  Sterimol/B3: 3.48979
  Sterimol/B4: 7.01037  Sterimol/L: 12.7461 
 
 Surface and Volume Properties
  Accessible surface: 501.607  Positive charged surface: 363.126  Negative charged surface: 138.481  Volume: 245.375
  Hydrophobic surface: 274.31  Hydrophilic surface: 227.297
 
 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.