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ASINEX-ZINC00249256

 MMsINC code: MMs00099176
Type: Ionized
Formula: C11H9N2O3S-
SMILES:   S=C1NC(=O)C(N1c1ccccc1)CC(=O)[O-]
InChI:   InChI=1/C11H10N2O3S/c14-9(15)6-8-10(16)12-11(17)13(8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)(H,12,16,17)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=24.1531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.27 g/mol  logS: -3.46846  SlogP: -0.5837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100949  Sterimol/B1: 2.79342  Sterimol/B2: 3.21262  Sterimol/B3: 4.0166
  Sterimol/B4: 6.56556  Sterimol/L: 11.7384 
 
 Surface and Volume Properties
  Accessible surface: 424.894  Positive charged surface: 180.149  Negative charged surface: 244.744  Volume: 213.875
  Hydrophobic surface: 197.526  Hydrophilic surface: 227.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs00099175
ASINEX-ZINC00249256