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ENAMINE-ZINC03380676

 MMsINC code: MMs01406692
Type: Neutral
Formula: C15H19N3O5S
SMILES:   S1(=O)(=O)N=C(NC(C(OCC(=O)NC(C)C)=O)C)c2c1cccc2
InChI:   InChI=1/C15H19N3O5S/c1-9(2)16-13(19)8-23-15(20)10(3)17-14-11-6-4-5-7-12(11)24(21,22)18-14/h4-7,9-10H,8H2,1-3H3,(H,16,19)(H,17,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=52.3622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.399 g/mol  logS: -3.5896  SlogP: 0.1814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350365  Sterimol/B1: 2.77648  Sterimol/B2: 4.2914  Sterimol/B3: 5.08694
  Sterimol/B4: 5.25877  Sterimol/L: 19.4411 
 
 Surface and Volume Properties
  Accessible surface: 620.884  Positive charged surface: 352.631  Negative charged surface: 268.252  Volume: 310.75
  Hydrophobic surface: 373.696  Hydrophilic surface: 247.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.