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ENAMINE-ZINC03183323

 MMsINC code: MMs01298479
Type: Neutral
Formula: C14H8FNO2S2
SMILES:   S1\C(=C\c2oc(cc2)-c2ccc(F)cc2)\C(=S)NC1=O
InChI:   InChI=1/C14H8FNO2S2/c15-9-3-1-8(2-4-9)11-6-5-10(18-11)7-12-13(19)16-14(17)20-12/h1-7H,(H,16,17,19)/b12-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.353 g/mol  logS: -6.78567  SlogP: 4.2104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031309  Sterimol/B1: 2.57186  Sterimol/B2: 3.28517  Sterimol/B3: 4.02615
  Sterimol/B4: 6.30639  Sterimol/L: 14.7579 
 
 Surface and Volume Properties
  Accessible surface: 475.327  Positive charged surface: 197.651  Negative charged surface: 277.676  Volume: 251.125
  Hydrophobic surface: 299.133  Hydrophilic surface: 176.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.