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ENAMINE-ZINC05694527

 MMsINC code: MMs01634431
Type: Neutral
Formula: C19H20N4O5S
SMILES:   S(=O)(=O)(N(C)C)c1cc(NC(=O)COC(=O)Cn2c3c(nc2)cccc3)ccc1
InChI:   InChI=1/C19H20N4O5S/c1-22(2)29(26,27)15-7-5-6-14(10-15)21-18(24)12-28-19(25)11-23-13-20-16-8-3-4-9-17(16)23/h3-10,13H,11-12H2,1-2H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=66.4528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.458 g/mol  logS: -4.01675  SlogP: 1.7349  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0480197  Sterimol/B1: 2.13492  Sterimol/B2: 4.10812  Sterimol/B3: 5.03475
  Sterimol/B4: 6.8257  Sterimol/L: 21.4797 
 
 Surface and Volume Properties
  Accessible surface: 691.784  Positive charged surface: 446.704  Negative charged surface: 245.08  Volume: 370.375
  Hydrophobic surface: 526.2  Hydrophilic surface: 165.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.