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ENAMINE-ZINC02629974

 MMsINC code: MMs01261539
Type: Neutral
Formula: C24H24N2O4S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1ccc(OCC(=O)N2CCc3c2cccc3)cc1
InChI:   InChI=1/C24H24N2O4S/c1-2-26(20-9-4-3-5-10-20)31(28,29)22-14-12-21(13-15-22)30-18-24(27)25-17-16-19-8-6-7-11-23(19)25/h3-15H,2,16-18H2,1H3

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Potential Energy
Epot(MMFF94)=126.202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.532 g/mol  logS: -5.5742  SlogP: 3.86987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457221  Sterimol/B1: 2.24186  Sterimol/B2: 3.12853  Sterimol/B3: 5.5727
  Sterimol/B4: 6.97502  Sterimol/L: 19.5626 
 
 Surface and Volume Properties
  Accessible surface: 692.906  Positive charged surface: 393.102  Negative charged surface: 299.804  Volume: 406.875
  Hydrophobic surface: 571.422  Hydrophilic surface: 121.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.