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ENAMINE-ZINC03391094

 MMsINC code: MMs01413550
Type: Neutral
Formula: C23H27NO5S
SMILES:   S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(OCC(=O)c1c(C)c(cc(C)c1C)C)=O
InChI:   InChI=1/C23H27NO5S/c1-15-12-16(2)18(4)22(17(15)3)21(25)14-29-23(26)19-8-7-9-20(13-19)30(27,28)24-10-5-6-11-24/h7-9,12-13H,5-6,10-11,14H2,1-4H3

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Potential Energy
Epot(MMFF94)=94.8968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.537 g/mol  logS: -6.22748  SlogP: 3.74448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472937  Sterimol/B1: 2.02884  Sterimol/B2: 4.2778  Sterimol/B3: 4.39952
  Sterimol/B4: 7.49589  Sterimol/L: 19.3671 
 
 Surface and Volume Properties
  Accessible surface: 720.807  Positive charged surface: 431.737  Negative charged surface: 289.071  Volume: 406.625
  Hydrophobic surface: 597.785  Hydrophilic surface: 123.022
 
 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.