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ACROSORGANICS-ZINC00388130

 MMsINC code: MMs00006858
Type: Neutral
Formula: C8H7ClO2
SMILES:   ClC(OCc1ccccc1)=O
InChI:   InChI=1/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.595 g/mol  logS: -2.58785  SlogP: 2.8284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820801  Sterimol/B1: 2.98139  Sterimol/B2: 3.61749  Sterimol/B3: 3.61777
  Sterimol/B4: 3.67078  Sterimol/L: 11.853 
 
 Surface and Volume Properties
  Accessible surface: 359.011  Positive charged surface: 148.93  Negative charged surface: 210.082  Volume: 154.25
  Hydrophobic surface: 220.701  Hydrophilic surface: 138.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.