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ACROSORGANICS-ZINC00394908

 MMsINC code: MMs00007449
Type: Neutral
Formula: C7H5ClOS
SMILES:   ClC(Sc1ccccc1)=O
InChI:   InChI=1/C7H5ClOS/c8-7(9)10-6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.8424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.635 g/mol  logS: -3.61483  SlogP: 3.1375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774486  Sterimol/B1: 2.89603  Sterimol/B2: 3.57107  Sterimol/B3: 3.60699
  Sterimol/B4: 3.75964  Sterimol/L: 11.3973 
 
 Surface and Volume Properties
  Accessible surface: 336.329  Positive charged surface: 114.314  Negative charged surface: 222.015  Volume: 146.875
  Hydrophobic surface: 187.83  Hydrophilic surface: 148.499
 
 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.