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NCID-ZINC01699287

 MMsINC code: MMs02329464
Type: Neutral
Formula: C28H24N2O6
SMILES:   O(C)c1cc(ccc1Nc1ccccc1C(O)=O)-c1cc(OC)c(Nc2ccccc2C(O)=O)cc1
InChI:   InChI=1/C28H24N2O6/c1-35-25-15-17(11-13-23(25)29-21-9-5-3-7-19(21)27(31)32)18-12-14-24(26(16-18)36-2)30-22-10-6-4-8-20(22)28(33)34/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=201.534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.508 g/mol  logS: -7.09146  SlogP: 6.2544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813413  Sterimol/B1: 2.50941  Sterimol/B2: 3.79504  Sterimol/B3: 5.49635
  Sterimol/B4: 10.9883  Sterimol/L: 20.0746 
 
 Surface and Volume Properties
  Accessible surface: 783.453  Positive charged surface: 502.818  Negative charged surface: 268.767  Volume: 449.375
  Hydrophobic surface: 590.401  Hydrophilic surface: 193.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02329465
NCID-ZINC01699287