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IBS-ZINC05350168

 MMsINC code: MMs01943534
Type: Neutral
Formula: C18H16N2O5S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CNC(=O)C=1Oc2c(cc(cc2)C)C(=O)C=1
InChI:   InChI=1/C18H16N2O5S/c1-11-2-7-16-14(8-11)15(21)9-17(25-16)18(22)20-10-12-3-5-13(6-4-12)26(19,23)24/h2-9H,10H2,1H3,(H,20,22)(H2,19,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.4396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.401 g/mol  logS: -5.42159  SlogP: 1.68422  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0324709  Sterimol/B1: 2.5522  Sterimol/B2: 3.61616  Sterimol/B3: 3.61946
  Sterimol/B4: 7.60829  Sterimol/L: 18.8378 
 
 Surface and Volume Properties
  Accessible surface: 617.268  Positive charged surface: 328.146  Negative charged surface: 289.122  Volume: 324.625
  Hydrophobic surface: 393.408  Hydrophilic surface: 223.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01943535
IBS-ZINC05350168