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CHEMBRIDGE-ZINC04913815

 MMsINC code: MMs00811063
Type: Neutral
Formula: C16H25NO2
SMILES:   O(CCOCCN1CCCCCC1)c1ccccc1
InChI:   InChI=1/C16H25NO2/c1-2-7-11-17(10-6-1)12-13-18-14-15-19-16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.4657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.381 g/mol  logS: -2.43171  SlogP: 2.958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140848  Sterimol/B1: 3.10135  Sterimol/B2: 3.85188  Sterimol/B3: 4.00436
  Sterimol/B4: 6.25159  Sterimol/L: 14.8777 
 
 Surface and Volume Properties
  Accessible surface: 549.127  Positive charged surface: 416.443  Negative charged surface: 132.684  Volume: 283.25
  Hydrophobic surface: 540.871  Hydrophilic surface: 8.256
 
 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


MMs00811064
CHEMBRIDGE-ZINC04913815