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PUBCHEM-ZINC06051157

 MMsINC code: MMs03515652
Type: Neutral
Formula: C13H26N2O4
SMILES:   O(CCCC)CCCNC(=O)NC(C(C)C)C(O)=O
InChI:   InChI=1/C13H26N2O4/c1-4-5-8-19-9-6-7-14-13(18)15-11(10(2)3)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=9.5108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.361 g/mol  logS: -1.71953  SlogP: 1.6016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0249105  Sterimol/B1: 3.25227  Sterimol/B2: 3.4031  Sterimol/B3: 3.41337
  Sterimol/B4: 4.23727  Sterimol/L: 20.4341 
 
 Surface and Volume Properties
  Accessible surface: 584.829  Positive charged surface: 445.802  Negative charged surface: 139.027  Volume: 281.75
  Hydrophobic surface: 389.919  Hydrophilic surface: 194.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03515653
PUBCHEM-ZINC06051157