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PUBCHEM-ZINC06440124

 MMsINC code: MMs03730724
Type: Neutral
Formula: C13H26N2O3
SMILES:   O(C(=O)C(NC(=O)NCCC(C)C)C(CC)C)C
InChI:   InChI=1/C13H26N2O3/c1-6-10(4)11(12(16)18-5)15-13(17)14-8-7-9(2)3/h9-11H,6-8H2,1-5H3,(H2,14,15,17)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=14.4231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.81789  SlogP: 1.9194  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0725943  Sterimol/B1: 2.46898  Sterimol/B2: 3.08388  Sterimol/B3: 3.83656
  Sterimol/B4: 8.87761  Sterimol/L: 15.1535 
 
 Surface and Volume Properties
  Accessible surface: 550.657  Positive charged surface: 412.424  Negative charged surface: 138.232  Volume: 276.5
  Hydrophobic surface: 392.267  Hydrophilic surface: 158.39
 
 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.