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ENAMINE-ZINC03287685

 MMsINC code: MMs01351420
Type: Neutral
Formula: C19H14N4O5S2
SMILES:   s1c2N=C3N(C=CC=C3)C(=O)c2cc1C(=O)Nc1ccc(S(=O)(=O)NC(=O)C)cc1
InChI:   InChI=1/C19H14N4O5S2/c1-11(24)22-30(27,28)13-7-5-12(6-8-13)20-17(25)15-10-14-18(29-15)21-16-4-2-3-9-23(16)19(14)26/h2-10H,1H3,(H,20,25)(H,22,24)

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Potential Energy
Epot(MMFF94)=43.1614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.476 g/mol  logS: -5.53315  SlogP: 2.3945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201199  Sterimol/B1: 2.46095  Sterimol/B2: 2.49952  Sterimol/B3: 4.97553
  Sterimol/B4: 6.70145  Sterimol/L: 20.9769 
 
 Surface and Volume Properties
  Accessible surface: 654.457  Positive charged surface: 302.551  Negative charged surface: 351.905  Volume: 362.5
  Hydrophobic surface: 446.371  Hydrophilic surface: 208.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.