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AURORAFEINCHEMIE-ZINC02405504

 MMsINC code: MMs00453121
Type: Neutral
Formula: C13H25N3O4
SMILES:   O1CCN(CC1)CCNC(=O)NC(CC(C)C)C(O)=O
InChI:   InChI=1/C13H25N3O4/c1-10(2)9-11(12(17)18)15-13(19)14-3-4-16-5-7-20-8-6-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=36.0553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.36 g/mol  logS: -1.34896  SlogP: 0.1171  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0516462  Sterimol/B1: 2.47822  Sterimol/B2: 2.6221  Sterimol/B3: 4.0718
  Sterimol/B4: 7.41987  Sterimol/L: 16.5223 
 
 Surface and Volume Properties
  Accessible surface: 562.516  Positive charged surface: 435.75  Negative charged surface: 126.766  Volume: 285.5
  Hydrophobic surface: 365.798  Hydrophilic surface: 196.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.