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CHEMDIV-ZINC02933149

 MMsINC code: MMs00893758
Type: Neutral
Formula: C15H26N2
SMILES:   N(CCCNCc1cc(ccc1)C)(CC)CC
InChI:   InChI=1/C15H26N2/c1-4-17(5-2)11-7-10-16-13-15-9-6-8-14(3)12-15/h6,8-9,12,16H,4-5,7,10-11,13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -2.35338  SlogP: 3.08292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536438  Sterimol/B1: 2.5676  Sterimol/B2: 2.60397  Sterimol/B3: 4.43187
  Sterimol/B4: 6.24966  Sterimol/L: 15.9144 
 
 Surface and Volume Properties
  Accessible surface: 549.813  Positive charged surface: 407.679  Negative charged surface: 142.134  Volume: 277.375
  Hydrophobic surface: 483.767  Hydrophilic surface: 66.046
 
 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


MMs00893759
CHEMDIV-ZINC02933149