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PUBCHEM-ZINC06273421

 MMsINC code: MMs03652200
Type: Neutral
Formula: C14H28N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCCCC)C)C(CC)C
InChI:   InChI=1/C14H28N2O3/c1-5-7-8-9-11(4)15-14(19)16-12(13(17)18)10(3)6-2/h10-12H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)/t10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=7.05521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -3.24799  SlogP: 2.7537  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0676134  Sterimol/B1: 2.50174  Sterimol/B2: 3.00092  Sterimol/B3: 4.55309
  Sterimol/B4: 7.8672  Sterimol/L: 17.3781 
 
 Surface and Volume Properties
  Accessible surface: 572.576  Positive charged surface: 417.977  Negative charged surface: 154.599  Volume: 291.375
  Hydrophobic surface: 374.454  Hydrophilic surface: 198.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03652201
PUBCHEM-ZINC06273421