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NCID-ZINC01667349

 MMsINC code: MMs02303524
Type: Neutral
Formula: C11H26N2O
SMILES:   OC(CN(CC)CC)CN(CC)CC
InChI:   InChI=1/C11H26N2O/c1-5-12(6-2)9-11(14)10-13(7-3)8-4/h11,14H,5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.4887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.342 g/mol  logS: -0.49262  SlogP: 1.0309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105781  Sterimol/B1: 2.00205  Sterimol/B2: 3.06983  Sterimol/B3: 3.76567
  Sterimol/B4: 6.55757  Sterimol/L: 13.2036 
 
 Surface and Volume Properties
  Accessible surface: 465.682  Positive charged surface: 367.84  Negative charged surface: 97.842  Volume: 236.125
  Hydrophobic surface: 356.302  Hydrophilic surface: 109.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02303525
NCID-ZINC01667349