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PUBCHEM-ZINC03106083

 MMsINC code: MMs02994710
Type: Neutral
Formula: C15H25NO2
SMILES:   O(CCCCN(CC)CC)c1cc(OC)ccc1
InChI:   InChI=1/C15H25NO2/c1-4-16(5-2)11-6-7-12-18-15-10-8-9-14(13-15)17-3/h8-10,13H,4-7,11-12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.3229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.37 g/mol  logS: -2.44149  SlogP: 3.196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297154  Sterimol/B1: 2.12199  Sterimol/B2: 2.4517  Sterimol/B3: 4.35195
  Sterimol/B4: 6.38143  Sterimol/L: 18.0824 
 
 Surface and Volume Properties
  Accessible surface: 553.928  Positive charged surface: 424.758  Negative charged surface: 129.17  Volume: 277.25
  Hydrophobic surface: 492.939  Hydrophilic surface: 60.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02994711
PUBCHEM-ZINC03106083