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MAYBRIDGE-ZINC00140494

 MMsINC code: MMs02139382
Type: Neutral
Formula: C10H11ClFNO2S
SMILES:   Clc1cccc(F)c1CSCC(N)C(O)=O
InChI:   InChI=1/C10H11ClFNO2S/c11-7-2-1-3-8(12)6(7)4-16-5-9(13)10(14)15/h1-3,9H,4-5,13H2,(H,14,15)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.72 g/mol  logS: -3.06679  SlogP: 2.3906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058917  Sterimol/B1: 2.72265  Sterimol/B2: 3.51381  Sterimol/B3: 3.68857
  Sterimol/B4: 4.9445  Sterimol/L: 14.4222 
 
 Surface and Volume Properties
  Accessible surface: 454.014  Positive charged surface: 231.244  Negative charged surface: 222.771  Volume: 217.75
  Hydrophobic surface: 286.003  Hydrophilic surface: 168.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.