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PUBCHEM-ZINC02974968

 MMsINC code: MMs02970830
Type: Neutral
Formula: C14H23NO2
SMILES:   O(CCOCCNC(C)C)c1ccccc1C
InChI:   InChI=1/C14H23NO2/c1-12(2)15-8-9-16-10-11-17-14-7-5-4-6-13(14)3/h4-7,12,15H,8-11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.9613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -2.15973  SlogP: 2.38842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134651  Sterimol/B1: 2.14731  Sterimol/B2: 3.33524  Sterimol/B3: 5.78773
  Sterimol/B4: 6.34528  Sterimol/L: 15.165 
 
 Surface and Volume Properties
  Accessible surface: 543.742  Positive charged surface: 402.692  Negative charged surface: 141.05  Volume: 264.25
  Hydrophobic surface: 489.951  Hydrophilic surface: 53.791
 
 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


MMs02970831
PUBCHEM-ZINC02974968