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NCID-ZINC01648959

 MMsINC code: MMs02288992
Type: Neutral
Formula: C10H24N2
SMILES:   N(CCNCCCC)(CC)CC
InChI:   InChI=1/C10H24N2/c1-4-7-8-11-9-10-12(5-2)6-3/h11H,4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.95399  SlogP: 1.7179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448657  Sterimol/B1: 2.87265  Sterimol/B2: 3.20938  Sterimol/B3: 3.99696
  Sterimol/B4: 4.77376  Sterimol/L: 14.6928 
 
 Surface and Volume Properties
  Accessible surface: 466.874  Positive charged surface: 382.167  Negative charged surface: 84.7075  Volume: 214.875
  Hydrophobic surface: 378.378  Hydrophilic surface: 88.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02288993
NCID-ZINC01648959