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MAYBRIDGE-ZINC00091201

 MMsINC code: MMs02130314
Type: Neutral
Formula: C10H11F2NO2S
SMILES:   S(=O)(=O)(NCC1CC1)c1ccc(F)cc1F
InChI:   InChI=1/C10H11F2NO2S/c11-8-3-4-10(9(12)5-8)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.63805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.265 g/mol  logS: -2.44153  SlogP: 1.6531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108063  Sterimol/B1: 2.7147  Sterimol/B2: 4.05989  Sterimol/B3: 4.61576
  Sterimol/B4: 4.93822  Sterimol/L: 12.6071 
 
 Surface and Volume Properties
  Accessible surface: 421.302  Positive charged surface: 206.938  Negative charged surface: 214.364  Volume: 201
  Hydrophobic surface: 294.093  Hydrophilic surface: 127.209
 
 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.