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ASINEX-ZINC03012191

 MMsINC code: MMs00283377
Type: Neutral
Formula: C25H20O4S
SMILES:   S(=O)(=O)(c1ccc(Oc2ccc(cc2)C)cc1)c1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C25H20O4S/c1-19-7-9-21(10-8-19)29-23-13-17-25(18-14-23)30(26,27)24-15-11-22(12-16-24)28-20-5-3-2-4-6-20/h2-18H,1H3

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Potential Energy
Epot(MMFF94)=119.353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.497 g/mol  logS: -7.38877  SlogP: 6.41242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040856  Sterimol/B1: 3.89306  Sterimol/B2: 4.39149  Sterimol/B3: 4.86819
  Sterimol/B4: 5.37196  Sterimol/L: 21.4416 
 
 Surface and Volume Properties
  Accessible surface: 696.494  Positive charged surface: 363.319  Negative charged surface: 333.174  Volume: 389.875
  Hydrophobic surface: 638.331  Hydrophilic surface: 58.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.