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AURORAFEINCHEMIE-ZINC00537319

 MMsINC code: MMs00447415
Type: Neutral
Formula: C10H13N3O5S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)NC(C(O)=O)C)cc1
InChI:   InChI=1/C10H13N3O5S/c1-6(9(14)15)12-10(16)13-7-2-4-8(5-3-7)19(11,17)18/h2-6H,1H3,(H,14,15)(H2,11,17,18)(H2,12,13,16)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=8.40592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.296 g/mol  logS: -1.97785  SlogP: -0.0714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544717  Sterimol/B1: 2.0352  Sterimol/B2: 3.37964  Sterimol/B3: 4.5004
  Sterimol/B4: 4.69125  Sterimol/L: 16.5012 
 
 Surface and Volume Properties
  Accessible surface: 490.487  Positive charged surface: 274.241  Negative charged surface: 216.246  Volume: 233.375
  Hydrophobic surface: 189.55  Hydrophilic surface: 300.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00447416
AURORAFEINCHEMIE-ZINC00537319