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ENAMINE-ZINC04581548

 MMsINC code: MMs01549358
Type: Neutral
Formula: C19H19ClN2O4S
SMILES:   Clc1ccccc1NC(=O)CN(C(=O)COC(=O)c1sc2CCCc2c1)C
InChI:   InChI=1/C19H19ClN2O4S/c1-22(10-17(23)21-14-7-3-2-6-13(14)20)18(24)11-26-19(25)16-9-12-5-4-8-15(12)27-16/h2-3,6-7,9H,4-5,8,10-11H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=113.468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.89 g/mol  logS: -4.94417  SlogP: 3.14404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0380877  Sterimol/B1: 2.44675  Sterimol/B2: 2.58275  Sterimol/B3: 4.28486
  Sterimol/B4: 8.07821  Sterimol/L: 20.7431 
 
 Surface and Volume Properties
  Accessible surface: 684.426  Positive charged surface: 408.806  Negative charged surface: 275.62  Volume: 358.25
  Hydrophobic surface: 578.662  Hydrophilic surface: 105.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.