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AURORAFEINCHEMIE-ZINC02345725

 MMsINC code: MMs00452660
Type: Neutral
Formula: C13H26N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCC(C)C)C)C)C
InChI:   InChI=1/C13H26N2O3/c1-9(2)7-6-8-10(3)14-13(17)15-11(4)12(16)18-5/h9-11H,6-8H2,1-5H3,(H2,14,15,17)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=5.53616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -3.25678  SlogP: 2.0619  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0397836  Sterimol/B1: 2.60014  Sterimol/B2: 2.63626  Sterimol/B3: 3.23345
  Sterimol/B4: 8.25332  Sterimol/L: 16.1742 
 
 Surface and Volume Properties
  Accessible surface: 562.813  Positive charged surface: 427.146  Negative charged surface: 135.667  Volume: 277.125
  Hydrophobic surface: 396.939  Hydrophilic surface: 165.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.