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ACROSORGANICS-ZINC01669426

 MMsINC code: MMs00010476
Type: Neutral
Formula: C10H24N2O2
SMILES:   O(CCCCOCCCN)CCCN
InChI:   InChI=1/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.93006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.314 g/mol  logS: -0.06562  SlogP: 0.4974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168812  Sterimol/B1: 2.18298  Sterimol/B2: 2.37521  Sterimol/B3: 2.37594
  Sterimol/B4: 3.03233  Sterimol/L: 20.1624 
 
 Surface and Volume Properties
  Accessible surface: 523.68  Positive charged surface: 462.659  Negative charged surface: 61.0204  Volume: 231.875
  Hydrophobic surface: 376.729  Hydrophilic surface: 146.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00010477
ACROSORGANICS-ZINC01669426