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NCID-ZINC01617735

 MMsINC code: MMs02266768
Type: Ionized
Formula: C11H10NO5S-
SMILES:   S(=O)(=O)(N1C(CCC1=O)C(=O)[O-])c1ccccc1
InChI:   InChI=1/C11H11NO5S/c13-10-7-6-9(11(14)15)12(10)18(16,17)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=24.0168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.269 g/mol  logS: -2.19289  SlogP: -0.8838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208745  Sterimol/B1: 2.55859  Sterimol/B2: 4.31524  Sterimol/B3: 4.88548
  Sterimol/B4: 5.43911  Sterimol/L: 11.2779 
 
 Surface and Volume Properties
  Accessible surface: 422.163  Positive charged surface: 194.914  Negative charged surface: 227.249  Volume: 219.5
  Hydrophobic surface: 260.741  Hydrophilic surface: 161.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs02266767
NCID-ZINC01617735