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AURORAFEINCHEMIE-ZINC00707779

 MMsINC code: MMs00447724
Type: Neutral
Formula: C24H17NO4S
SMILES:   S(C=1C(=O)N(C(=CC=1O)c1ccccc1)c1ccccc1)c1ccccc1C(O)=O
InChI:   InChI=1/C24H17NO4S/c26-20-15-19(16-9-3-1-4-10-16)25(17-11-5-2-6-12-17)23(27)22(20)30-21-14-8-7-13-18(21)24(28)29/h1-15,26H,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.469 g/mol  logS: -6.99968  SlogP: 5.3344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138718  Sterimol/B1: 3.99847  Sterimol/B2: 4.36021  Sterimol/B3: 4.63226
  Sterimol/B4: 7.21055  Sterimol/L: 17.07 
 
 Surface and Volume Properties
  Accessible surface: 632.528  Positive charged surface: 352.329  Negative charged surface: 280.199  Volume: 376.875
  Hydrophobic surface: 462.583  Hydrophilic surface: 169.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00447725
AURORAFEINCHEMIE-ZINC00707779