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NCID-ZINC01561570

 MMsINC code: MMs02223690
Type: Neutral
Formula: C14H26N2O4
SMILES:   O(C(=O)C(N1CCNCC1)CC(OCCC)=O)CCC
InChI:   InChI=1/C14H26N2O4/c1-3-9-19-13(17)11-12(14(18)20-10-4-2)16-7-5-15-6-8-16/h12,15H,3-11H2,1-2H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=74.6516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -1.16043  SlogP: 0.5567  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.113611  Sterimol/B1: 2.13489  Sterimol/B2: 2.75033  Sterimol/B3: 4.60853
  Sterimol/B4: 10.1208  Sterimol/L: 14.981 
 
 Surface and Volume Properties
  Accessible surface: 577.06  Positive charged surface: 469.048  Negative charged surface: 108.012  Volume: 293.375
  Hydrophobic surface: 462.51  Hydrophilic surface: 114.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02223691
NCID-ZINC01561570