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ENAMINE-ZINC03247816

 MMsINC code: MMs01328874
Type: Neutral
Formula: C19H20N2O4S
SMILES:   s1cccc1C(=O)NC(Cc1ccccc1)C(OCC(=O)NC1CC1)=O
InChI:   InChI=1/C19H20N2O4S/c22-17(20-14-8-9-14)12-25-19(24)15(11-13-5-2-1-3-6-13)21-18(23)16-7-4-10-26-16/h1-7,10,14-15H,8-9,11-12H2,(H,20,22)(H,21,23)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=83.8484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.445 g/mol  logS: -4.30017  SlogP: 1.91097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367845  Sterimol/B1: 2.90117  Sterimol/B2: 3.28546  Sterimol/B3: 3.71778
  Sterimol/B4: 10.038  Sterimol/L: 17.5209 
 
 Surface and Volume Properties
  Accessible surface: 656.398  Positive charged surface: 366.301  Negative charged surface: 290.097  Volume: 346.125
  Hydrophobic surface: 507.738  Hydrophilic surface: 148.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.