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ENAMINE-ZINC00134278

 MMsINC code: MMs01225015
Type: Ionized
Formula: C13H10N2O4S2-2
SMILES:   S(=O)([O-])(=[NH])c1cc2Cc3cc(S(=O)([O-])=[NH])ccc3-c2cc1
InChI:   InChI=1/C13H10N2O4S2/c14-20(16,17)10-1-3-12-8(6-10)5-9-7-11(21(15,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H2-2,14,15,16,17,18,19)/q-2

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Potential Energy
Epot(MMFF94)=63.4882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.365 g/mol  logS: -4.78414  SlogP: 1.20097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362891  Sterimol/B1: 2.81909  Sterimol/B2: 3.13017  Sterimol/B3: 3.44817
  Sterimol/B4: 5.1419  Sterimol/L: 15.6087 
 
 Surface and Volume Properties
  Accessible surface: 495.533  Positive charged surface: 183.393  Negative charged surface: 300.846  Volume: 252.625
  Hydrophobic surface: 285.734  Hydrophilic surface: 209.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs01225014
ENAMINE-ZINC00134278