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CHEMBRIDGE-ZINC01886292

 MMsINC code: MMs00699484
Type: Neutral
Formula: C26H23NO6
SMILES:   O1c2cc(OCC(=O)Nc3ccc(cc3)C(OCCCC)=O)ccc2-c2c(cccc2)C1=O
InChI:   InChI=1/C26H23NO6/c1-2-3-14-31-25(29)17-8-10-18(11-9-17)27-24(28)16-32-19-12-13-21-20-6-4-5-7-22(20)26(30)33-23(21)15-19/h4-13,15H,2-3,14,16H2,1H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 445.471 g/mol  logS: -8.1643  SlogP: 4.8606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00917185  Sterimol/B1: 2.54042  Sterimol/B2: 3.23631  Sterimol/B3: 4.05573
  Sterimol/B4: 5.35038  Sterimol/L: 27.6994 
 
 Surface and Volume Properties
  Accessible surface: 774.562  Positive charged surface: 460.771  Negative charged surface: 303.018  Volume: 415.75
  Hydrophobic surface: 599.37  Hydrophilic surface: 175.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.