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NANOSIN-ZINC04661013

 MMsINC code: MMs02209031
Type: Neutral
Formula: C11H10N2O4S
SMILES:   S(=O)(=O)(N)c1ccc(N2C(=O)C(=CC2=O)C)cc1
InChI:   InChI=1/C11H10N2O4S/c1-7-6-10(14)13(11(7)15)8-2-4-9(5-3-8)18(12,16)17/h2-6H,1H3,(H2,12,16,17)

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Potential Energy
Epot(MMFF94)=14.0169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.277 g/mol  logS: -2.76651  SlogP: 0.1535  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0309758  Sterimol/B1: 2.7483  Sterimol/B2: 2.99097  Sterimol/B3: 3.03107
  Sterimol/B4: 5.25739  Sterimol/L: 14.5976 
 
 Surface and Volume Properties
  Accessible surface: 441.717  Positive charged surface: 214.109  Negative charged surface: 227.608  Volume: 218.25
  Hydrophobic surface: 237.988  Hydrophilic surface: 203.729
 
 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


MMs02209032
NANOSIN-ZINC04661013