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NCID-ZINC04428809

 MMsINC code: MMs02387051
Type: Neutral
Formula: C16H36N2
SMILES:   N(CCCCCCN)(CCCCC)CCCCC
InChI:   InChI=1/C16H36N2/c1-3-5-10-14-18(15-11-6-4-2)16-12-8-7-9-13-17/h3-17H2,1-2H3

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Potential Energy
Epot(MMFF94)=7.99473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.478 g/mol  logS: -3.10571  SlogP: 4.1879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456052  Sterimol/B1: 2.42145  Sterimol/B2: 2.96625  Sterimol/B3: 3.43553
  Sterimol/B4: 12.8426  Sterimol/L: 16.3827 
 
 Surface and Volume Properties
  Accessible surface: 645.802  Positive charged surface: 542.938  Negative charged surface: 102.864  Volume: 318.5
  Hydrophobic surface: 530.476  Hydrophilic surface: 115.326
 
 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


MMs02387052
NCID-ZINC04428809