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ENAMINE-ZINC06025947

 MMsINC code: MMs01650047
Type: Neutral
Formula: C19H25N3O4S
SMILES:   S(=O)(=O)(NC(C(C)C)C(=O)NCCc1ncccc1)c1ccc(OC)cc1
InChI:   InChI=1/C19H25N3O4S/c1-14(2)18(19(23)21-13-11-15-6-4-5-12-20-15)22-27(24,25)17-9-7-16(26-3)8-10-17/h4-10,12,14,18,22H,11,13H2,1-3H3,(H,21,23)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=59.0871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.492 g/mol  logS: -2.90071  SlogP: 1.75197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131434  Sterimol/B1: 2.34364  Sterimol/B2: 3.39868  Sterimol/B3: 5.57687
  Sterimol/B4: 10.516  Sterimol/L: 15.6528 
 
 Surface and Volume Properties
  Accessible surface: 663.457  Positive charged surface: 435.265  Negative charged surface: 228.192  Volume: 369.25
  Hydrophobic surface: 521.351  Hydrophilic surface: 142.106
 
 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.