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IBS-ZINC00242362

 MMsINC code: MMs01733532
Type: Neutral
Formula: C14H26N2O6
SMILES:   O1CCN(CCOCCN(CC1)C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C14H26N2O6/c1-3-21-13(17)15-5-9-19-11-7-16(14(18)22-4-2)8-12-20-10-6-15/h3-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.0963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.37 g/mol  logS: -0.96588  SlogP: 0.9502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284801  Sterimol/B1: 2.27337  Sterimol/B2: 3.55169  Sterimol/B3: 4.4818
  Sterimol/B4: 8.45936  Sterimol/L: 11.6813 
 
 Surface and Volume Properties
  Accessible surface: 561.648  Positive charged surface: 465.007  Negative charged surface: 96.6412  Volume: 309
  Hydrophobic surface: 451.003  Hydrophilic surface: 110.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.