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PUBCHEM-ZINC06203894

 MMsINC code: MMs03611465
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-/m1/s1

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Potential Energy
Epot(MMFF94)=11.0027 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: 0.0250431  Sterimol/B1: 2.77696  Sterimol/B2: 3.22353  Sterimol/B3: 3.43166
  Sterimol/B4: 4.90013  Sterimol/L: 21.7143 
 
 Surface and Volume Properties
  Accessible surface: 609.56  Positive charged surface: 464.809  Negative charged surface: 144.751  Volume: 299.5
  Hydrophobic surface: 412.444  Hydrophilic surface: 197.116
 
 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


MMs03611466
PUBCHEM-ZINC06203894