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PUBCHEM-ZINC06224654

 MMsINC code: MMs03619665
Type: Neutral
Formula: C13H25N3O4
SMILES:   O1CCN(CC1)CCNC(=O)NC(C(CC)C)C(O)=O
InChI:   InChI=1/C13H25N3O4/c1-3-10(2)11(12(17)18)15-13(19)14-4-5-16-6-8-20-9-7-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=43.3791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.36 g/mol  logS: -1.03551  SlogP: 0.1171  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0396358  Sterimol/B1: 2.48736  Sterimol/B2: 2.8992  Sterimol/B3: 4.11398
  Sterimol/B4: 5.36863  Sterimol/L: 17.8997 
 
 Surface and Volume Properties
  Accessible surface: 553.282  Positive charged surface: 437.845  Negative charged surface: 115.437  Volume: 279.25
  Hydrophobic surface: 370.541  Hydrophilic surface: 182.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.