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PUBCHEM-ZINC02555556

 MMsINC code: MMs02900383
Type: Neutral
Formula: C11H17NO2
SMILES:   O(CCNCCOC)c1ccccc1
InChI:   InChI=1/C11H17NO2/c1-13-9-7-12-8-10-14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.262 g/mol  logS: -1.34484  SlogP: 1.3014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848386  Sterimol/B1: 2.33443  Sterimol/B2: 2.5465  Sterimol/B3: 4.48565
  Sterimol/B4: 5.84458  Sterimol/L: 14.8193 
 
 Surface and Volume Properties
  Accessible surface: 462.183  Positive charged surface: 361.484  Negative charged surface: 100.699  Volume: 209.75
  Hydrophobic surface: 437.034  Hydrophilic surface: 25.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02900384
PUBCHEM-ZINC02555556