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ENAMINE-ZINC05702512

 MMsINC code: MMs01635818
Type: Neutral
Formula: C14H10F3NO4S2
SMILES:   S(c1ccc(S(=O)(=O)C)cc1[N+](=O)[O-])c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H10F3NO4S2/c1-24(21,22)11-5-6-13(12(8-11)18(19)20)23-10-4-2-3-9(7-10)14(15,16)17/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=98.5839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.363 g/mol  logS: -6.21761  SlogP: 4.4798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132231  Sterimol/B1: 2.12151  Sterimol/B2: 3.55492  Sterimol/B3: 4.65871
  Sterimol/B4: 7.70775  Sterimol/L: 13.8286 
 
 Surface and Volume Properties
  Accessible surface: 538.333  Positive charged surface: 178.138  Negative charged surface: 360.195  Volume: 282.375
  Hydrophobic surface: 272.748  Hydrophilic surface: 265.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.