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NCID-ZINC01615341

 MMsINC code: MMs02265018
Type: Neutral
Formula: C11H26N2O4
SMILES:   OCCN(CCCN(CCO)CCO)CCO
InChI:   InChI=1/C11H26N2O4/c14-8-4-12(5-9-15)2-1-3-13(6-10-16)7-11-17/h14-17H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.6859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.339 g/mol  logS: 1.22207  SlogP: -2.0503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198258  Sterimol/B1: 3.34268  Sterimol/B2: 4.3632  Sterimol/B3: 4.36413
  Sterimol/B4: 4.87177  Sterimol/L: 12.4932 
 
 Surface and Volume Properties
  Accessible surface: 526.125  Positive charged surface: 468.641  Negative charged surface: 57.4846  Volume: 253.625
  Hydrophobic surface: 337.982  Hydrophilic surface: 188.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02265019
NCID-ZINC01615341