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PUBCHEM-ZINC06371917

 MMsINC code: MMs03690079
Type: Neutral
Formula: C14H24N2O
SMILES:   OC(C(CN(C)C)CN(C)C)c1ccccc1
InChI:   InChI=1/C14H24N2O/c1-15(2)10-13(11-16(3)4)14(17)12-8-6-5-7-9-12/h5-9,13-14,17H,10-11H2,1-4H3/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.0304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.359 g/mol  logS: -1.02801  SlogP: 1.5549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202668  Sterimol/B1: 2.27153  Sterimol/B2: 3.86287  Sterimol/B3: 5.08376
  Sterimol/B4: 5.36215  Sterimol/L: 13.1726 
 
 Surface and Volume Properties
  Accessible surface: 461.555  Positive charged surface: 387.029  Negative charged surface: 74.5262  Volume: 262.375
  Hydrophobic surface: 425.256  Hydrophilic surface: 36.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03690080
PUBCHEM-ZINC06371917