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ACROSORGANICS-ZINC02516956

 MMsINC code: MMs00013887
Type: Neutral
Formula: C12H26N2O4
SMILES:   O1CCN(CCOCCN(CC1)COC)COC
InChI:   InChI=1/C12H26N2O4/c1-15-11-13-3-7-17-9-5-14(12-16-2)6-10-18-8-4-13/h3-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.35 g/mol  logS: 0.48328  SlogP: -0.155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.305017  Sterimol/B1: 2.62431  Sterimol/B2: 3.23068  Sterimol/B3: 5.54116
  Sterimol/B4: 5.99031  Sterimol/L: 11.858 
 
 Surface and Volume Properties
  Accessible surface: 482.436  Positive charged surface: 446.385  Negative charged surface: 36.0508  Volume: 271.125
  Hydrophobic surface: 426.766  Hydrophilic surface: 55.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.