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OTAVA-ZINC00069764

 MMsINC code: MMs02553715
Type: Neutral
Formula: C10H8N2O4S
SMILES:   S(=O)(=O)(N)c1ccc(N2C(=O)C=CC2=O)cc1
InChI:   InChI=1/C10H8N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-6H,(H2,11,15,16)

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Potential Energy
Epot(MMFF94)=14.1321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.25 g/mol  logS: -2.74956  SlogP: -0.2366  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0360837  Sterimol/B1: 2.70113  Sterimol/B2: 2.79142  Sterimol/B3: 3.293
  Sterimol/B4: 5.19497  Sterimol/L: 13.3312 
 
 Surface and Volume Properties
  Accessible surface: 417.225  Positive charged surface: 183.313  Negative charged surface: 233.912  Volume: 198.625
  Hydrophobic surface: 206.548  Hydrophilic surface: 210.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02553716
OTAVA-ZINC00069764