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PUBCHEM-ZINC06203881

 MMsINC code: MMs03611454
Type: Neutral
Formula: C14H28N2O4
SMILES:   O(CCCC)CCCNC(=O)NC(C(CC)C)C(O)=O
InChI:   InChI=1/C14H28N2O4/c1-4-6-9-20-10-7-8-15-14(19)16-12(13(17)18)11(3)5-2/h11-12H,4-10H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=3.12587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -2.23475  SlogP: 1.9917  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0313874  Sterimol/B1: 2.92144  Sterimol/B2: 3.86794  Sterimol/B3: 4.03608
  Sterimol/B4: 5.98073  Sterimol/L: 20.1452 
 
 Surface and Volume Properties
  Accessible surface: 607.797  Positive charged surface: 455.564  Negative charged surface: 152.233  Volume: 299.375
  Hydrophobic surface: 407.949  Hydrophilic surface: 199.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03611455
PUBCHEM-ZINC06203881