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CHEMDIV-ZINC03626075

 MMsINC code: MMs00911933
Type: Neutral
Formula: C19H24N2O3S
SMILES:   s1cccc1CC(=O)NC(C(=O)NCCCOCC)c1ccccc1
InChI:   InChI=1/C19H24N2O3S/c1-2-24-12-7-11-20-19(23)18(15-8-4-3-5-9-15)21-17(22)14-16-10-6-13-25-16/h3-6,8-10,13,18H,2,7,11-12,14H2,1H3,(H,20,23)(H,21,22)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.1656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.478 g/mol  logS: -4.01124  SlogP: 2.78637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495422  Sterimol/B1: 2.75363  Sterimol/B2: 4.50914  Sterimol/B3: 4.75087
  Sterimol/B4: 6.81459  Sterimol/L: 21.0876 
 
 Surface and Volume Properties
  Accessible surface: 687.655  Positive charged surface: 437.631  Negative charged surface: 250.024  Volume: 353.125
  Hydrophobic surface: 592.37  Hydrophilic surface: 95.285
 
 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.