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ENAMINE-ZINC07004187

 MMsINC code: MMs01718798
Type: Neutral
Formula: C14H12ClFN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(Cc2cc(F)ccc2)C)cc1[N+](=O)[O-]
InChI:   InChI=1/C14H12ClFN2O4S/c1-17(9-10-3-2-4-11(16)7-10)23(21,22)12-5-6-13(15)14(8-12)18(19)20/h2-8H,9H2,1H3

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Potential Energy
Epot(MMFF94)=58.8249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.777 g/mol  logS: -4.88584  SlogP: 3.4744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675351  Sterimol/B1: 1.969  Sterimol/B2: 3.32004  Sterimol/B3: 4.13849
  Sterimol/B4: 6.42918  Sterimol/L: 16.0782 
 
 Surface and Volume Properties
  Accessible surface: 526.829  Positive charged surface: 222.914  Negative charged surface: 303.914  Volume: 283.875
  Hydrophobic surface: 402.657  Hydrophilic surface: 124.172
 
 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.