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ENAMINE-ZINC06581655

 MMsINC code: MMs01676981
Type: Neutral
Formula: C16H16N4O4S
SMILES:   S(=O)(=O)(Nc1cc2n[nH]cc2cc1)c1cc(NC(=O)C)c(OC)cc1
InChI:   InChI=1/C16H16N4O4S/c1-10(21)18-15-8-13(5-6-16(15)24-2)25(22,23)20-12-4-3-11-9-17-19-14(11)7-12/h3-9,20H,1-2H3,(H,17,19)(H,18,21)

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Potential Energy
Epot(MMFF94)=89.9357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.394 g/mol  logS: -3.58927  SlogP: 2.3307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147385  Sterimol/B1: 3.22702  Sterimol/B2: 4.09159  Sterimol/B3: 5.75755
  Sterimol/B4: 7.17462  Sterimol/L: 15.6678 
 
 Surface and Volume Properties
  Accessible surface: 581.133  Positive charged surface: 353.348  Negative charged surface: 222.749  Volume: 309.375
  Hydrophobic surface: 349.102  Hydrophilic surface: 232.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.