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PUBCHEM-ZINC05162078

 MMsINC code: MMs03217547
Type: Ionized
Formula: C14H7ClF2N3O4S-
SMILES:   Clc1c(nc(F)nc1F)Nc1cc2c(cc1)c(O)cc(S(=O)(=O)[O-])c2
InChI:   InChI=1/C14H8ClF2N3O4S/c15-11-12(16)19-14(17)20-13(11)18-7-1-2-9-6(3-7)4-8(5-10(9)21)25(22,23)24/h1-5,21H,(H,18,19,20)(H,22,23,24)/p-1

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Potential Energy
Epot(MMFF94)=49.1357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.742 g/mol  logS: -6.09409  SlogP: 2.9147  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0119813  Sterimol/B1: 2.43416  Sterimol/B2: 3.61303  Sterimol/B3: 3.63741
  Sterimol/B4: 6.16771  Sterimol/L: 16.6945 
 
 Surface and Volume Properties
  Accessible surface: 537.315  Positive charged surface: 166.201  Negative charged surface: 361.469  Volume: 279.75
  Hydrophobic surface: 302.83  Hydrophilic surface: 234.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 3  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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MMs03217546
PUBCHEM-ZINC05162078