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OTAVA-ZINC05032410

 MMsINC code: MMs02588235
Type: Ionized
Formula: C17H11FNO4S2-
SMILES:   S1\C(=C\c2oc(cc2)-c2ccccc2F)\C(=O)N(C(C(=O)[O-])C)C1=S
InChI:   InChI=1/C17H12FNO4S2/c1-9(16(21)22)19-15(20)14(25-17(19)24)8-10-6-7-13(23-10)11-4-2-3-5-12(11)18/h2-9H,1H3,(H,21,22)/p-1/b14-8-/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=43.4155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.408 g/mol  logS: -7.26318  SlogP: 2.4253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279673  Sterimol/B1: 2.26077  Sterimol/B2: 4.72767  Sterimol/B3: 5.42232
  Sterimol/B4: 6.02165  Sterimol/L: 17.0806 
 
 Surface and Volume Properties
  Accessible surface: 570.097  Positive charged surface: 238.564  Negative charged surface: 331.533  Volume: 314.25
  Hydrophobic surface: 357.946  Hydrophilic surface: 212.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs02588234
OTAVA-ZINC05032410