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CHEMBRIDGE-ZINC00990592

 MMsINC code: MMs00650174
Type: Neutral
Formula: C26H21NO7
SMILES:   O(C)c1ccc(cc1)C(=O)COC(=O)C(N1C(=O)c2c(cccc2)C1=O)Cc1ccc(O)c
c1
InChI:   InChI=1/C26H21NO7/c1-33-19-12-8-17(9-13-19)23(29)15-34-26(32)22(14-16-6-10-18(28)11-7-16)27-24(30)20-4-2-3-5-21(20)25(27)31/h2-13,22,28H,14-15H2,1H3/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.454 g/mol  logS: -5.95995  SlogP: 3.03417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383341  Sterimol/B1: 3.04672  Sterimol/B2: 4.64774  Sterimol/B3: 5.33516
  Sterimol/B4: 7.57712  Sterimol/L: 20.3426 
 
 Surface and Volume Properties
  Accessible surface: 742.652  Positive charged surface: 432.721  Negative charged surface: 309.931  Volume: 417.125
  Hydrophobic surface: 564.379  Hydrophilic surface: 178.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.