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ACROSORGANICS-ZINC01532194

 MMsINC code: MMs00008999
Type: Neutral
Formula: C10H24N2
SMILES:   N(CCCCCCN(C)C)(C)C
InChI:   InChI=1/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.4915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.1934  SlogP: 1.67  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323795  Sterimol/B1: 2.60139  Sterimol/B2: 2.7585  Sterimol/B3: 3.08489
  Sterimol/B4: 4.32752  Sterimol/L: 15.7155 
 
 Surface and Volume Properties
  Accessible surface: 453.109  Positive charged surface: 437.376  Negative charged surface: 15.7325  Volume: 215.25
  Hydrophobic surface: 447.492  Hydrophilic surface: 5.617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00009000
ACROSORGANICS-ZINC01532194