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ENAMINE-ZINC03165501

 MMsINC code: MMs01292427
Type: Neutral
Formula: C15H24N2O
SMILES:   O=C(N(CCCN(C)C)CCC)c1ccccc1
InChI:   InChI=1/C15H24N2O/c1-4-11-17(13-8-12-16(2)3)15(18)14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.8216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.37 g/mol  logS: -2.05366  SlogP: 2.4905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752538  Sterimol/B1: 2.33356  Sterimol/B2: 3.45472  Sterimol/B3: 3.79118
  Sterimol/B4: 8.34574  Sterimol/L: 15.4963 
 
 Surface and Volume Properties
  Accessible surface: 521.581  Positive charged surface: 389.57  Negative charged surface: 132.011  Volume: 274.125
  Hydrophobic surface: 466.917  Hydrophilic surface: 54.664
 
 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


MMs01292428
ENAMINE-ZINC03165501