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ASINEX-ZINC01618829

 MMsINC code: MMs00255469
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(N(CC(O)=O)c1ccccc1C)c1ccccc1
InChI:   InChI=1/C15H15NO4S/c1-12-7-5-6-10-14(12)16(11-15(17)18)21(19,20)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=74.0649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.27861  SlogP: 2.27492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162216  Sterimol/B1: 2.52756  Sterimol/B2: 4.07803  Sterimol/B3: 5.61047
  Sterimol/B4: 6.61189  Sterimol/L: 12.5049 
 
 Surface and Volume Properties
  Accessible surface: 482.671  Positive charged surface: 261.224  Negative charged surface: 221.447  Volume: 271.5
  Hydrophobic surface: 345.406  Hydrophilic surface: 137.265
 
 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


MMs00255470
ASINEX-ZINC01618829