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PUBCHEM-ZINC06264828

 MMsINC code: MMs03646577
Type: Neutral
Formula: C13H26N2O3
SMILES:   OC(=O)C(NC(=O)N(CCC)CCC)C(CC)C
InChI:   InChI=1/C13H26N2O3/c1-5-8-15(9-6-2)13(18)14-11(12(16)17)10(4)7-3/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=7.23341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -1.79811  SlogP: 2.3173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237438  Sterimol/B1: 2.14513  Sterimol/B2: 4.24115  Sterimol/B3: 5.84588
  Sterimol/B4: 8.04776  Sterimol/L: 13.3808 
 
 Surface and Volume Properties
  Accessible surface: 522.872  Positive charged surface: 364.267  Negative charged surface: 158.605  Volume: 275.25
  Hydrophobic surface: 337.386  Hydrophilic surface: 185.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03646578
PUBCHEM-ZINC06264828