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ENAMINE-ZINC06321666

 MMsINC code: MMs01661692
Type: Neutral
Formula: C13H10F2N2O3S
SMILES:   S(=O)(=O)(N)c1cc(NC(=O)c2cc(F)cc(F)c2)ccc1
InChI:   InChI=1/C13H10F2N2O3S/c14-9-4-8(5-10(15)6-9)13(18)17-11-2-1-3-12(7-11)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.9755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.296 g/mol  logS: -4.17144  SlogP: 1.8645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458812  Sterimol/B1: 2.097  Sterimol/B2: 2.54128  Sterimol/B3: 4.03057
  Sterimol/B4: 6.42991  Sterimol/L: 15.478 
 
 Surface and Volume Properties
  Accessible surface: 498.544  Positive charged surface: 220.442  Negative charged surface: 278.102  Volume: 246.125
  Hydrophobic surface: 330.41  Hydrophilic surface: 168.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01661693
ENAMINE-ZINC06321666