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NCID-ZINC01849780

 MMsINC code: MMs02371496
Type: Neutral
Formula: C8H10OS
SMILES:   S(OC)c1ccc(cc1)C
InChI:   InChI=1/C8H10OS/c1-7-3-5-8(6-4-7)10-9-2/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.3363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.233 g/mol  logS: -3.13476  SlogP: 2.64852  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0377579  Sterimol/B1: 2.55103  Sterimol/B2: 3.4781  Sterimol/B3: 3.62218
  Sterimol/B4: 3.62609  Sterimol/L: 12.006 
 
 Surface and Volume Properties
  Accessible surface: 362.401  Positive charged surface: 226.6  Negative charged surface: 135.801  Volume: 154.5
  Hydrophobic surface: 354.115  Hydrophilic surface: 8.286
 
 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.