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ASINEX-ZINC00065899

 MMsINC code: MMs00068110
Type: Ionized
Formula: C12H10NO4S-
SMILES:   S(C1CC(=O)N(C)C1=O)c1ccccc1C(=O)[O-]
InChI:   InChI=1/C12H11NO4S/c1-13-10(14)6-9(11(13)15)18-8-5-3-2-4-7(8)12(16)17/h2-5,9H,6H2,1H3,(H,16,17)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=28.1833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.281 g/mol  logS: -3.12078  SlogP: -0.1005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14111  Sterimol/B1: 2.47791  Sterimol/B2: 2.8093  Sterimol/B3: 4.94849
  Sterimol/B4: 5.73216  Sterimol/L: 12.2979 
 
 Surface and Volume Properties
  Accessible surface: 430.015  Positive charged surface: 228.896  Negative charged surface: 201.119  Volume: 226.125
  Hydrophobic surface: 269.454  Hydrophilic surface: 160.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs00068109
ASINEX-ZINC00065899