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PUBCHEM-ZINC06224692

 MMsINC code: MMs03619710
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)=38.6921 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: 0.0703862  Sterimol/B1: 2.52589  Sterimol/B2: 3.61669  Sterimol/B3: 3.92433
  Sterimol/B4: 7.57837  Sterimol/L: 16.3858 
 
 Surface and Volume Properties
  Accessible surface: 559.226  Positive charged surface: 433.184  Negative charged surface: 126.042  Volume: 283.5
  Hydrophobic surface: 372.194  Hydrophilic surface: 187.032
 
 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.