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IBS-ZINC05013968

 MMsINC code: MMs01911470
Type: Ionized
Formula: C17H11FNO4S2-
SMILES:   S1\C(=C/c2oc(cc2)-c2ccccc2F)\C(=O)N(CCC(=O)[O-])C1=S
InChI:   InChI=1/C17H12FNO4S2/c18-12-4-2-1-3-11(12)13-6-5-10(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/p-1/b14-9-

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Potential Energy
Epot(MMFF94)=19.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.408 g/mol  logS: -6.81789  SlogP: 2.4269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267596  Sterimol/B1: 2.97942  Sterimol/B2: 3.41064  Sterimol/B3: 4.80385
  Sterimol/B4: 6.10378  Sterimol/L: 18.0341 
 
 Surface and Volume Properties
  Accessible surface: 583.854  Positive charged surface: 256.215  Negative charged surface: 327.639  Volume: 315
  Hydrophobic surface: 359.621  Hydrophilic surface: 224.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs01911469
IBS-ZINC05013968