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ACROSORGANICS-ZINC01846582

 MMsINC code: MMs00012051
Type: Neutral
Formula: C5H3ClO2
SMILES:   ClC(=O)c1occc1
InChI:   InChI=1/C5H3ClO2/c6-5(7)4-2-1-3-8-4/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.5583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.53 g/mol  logS: -2.2626  SlogP: 1.6586  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.61576e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09877  Sterimol/B3: 2.83118
  Sterimol/B4: 3.81573  Sterimol/L: 8.98317 
 
 Surface and Volume Properties
  Accessible surface: 270.101  Positive charged surface: 81.0665  Negative charged surface: 189.034  Volume: 106.125
  Hydrophobic surface: 142.34  Hydrophilic surface: 127.761
 
 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.