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ENAMINE-ZINC03886308

 MMsINC code: MMs01527824
Type: Neutral
Formula: C10H13ClO2
SMILES:   ClCCOc1ccc(OCC)cc1
InChI:   InChI=1/C10H13ClO2/c1-2-12-9-3-5-10(6-4-9)13-8-7-11/h3-6H,2,7-8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.6553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.665 g/mol  logS: -2.57813  SlogP: 2.7029  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0254665  Sterimol/B1: 2.45447  Sterimol/B2: 2.58839  Sterimol/B3: 3.45198
  Sterimol/B4: 4.66983  Sterimol/L: 14.3743 
 
 Surface and Volume Properties
  Accessible surface: 427.929  Positive charged surface: 261.053  Negative charged surface: 166.876  Volume: 195.625
  Hydrophobic surface: 324.001  Hydrophilic surface: 103.928
 
 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: no related molecules available.