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CHEMBRIDGE-ZINC00753105

 MMsINC code: MMs00643177
Type: Neutral
Formula: C28H24N2O4
SMILES:   O(C)c1cc(ccc1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)c2cc(OC)ccc2)cc1
InChI:   InChI=1/C28H24N2O4/c1-33-25-7-3-5-21(17-25)27(31)29-23-13-9-19(10-14-23)20-11-15-24(16-12-20)30-28(32)22-6-4-8-26(18-22)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.51 g/mol  logS: -7.852  SlogP: 5.8754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00510392  Sterimol/B1: 2.44746  Sterimol/B2: 2.47821  Sterimol/B3: 3.14058
  Sterimol/B4: 6.85023  Sterimol/L: 26.4473 
 
 Surface and Volume Properties
  Accessible surface: 779.737  Positive charged surface: 465.612  Negative charged surface: 301.622  Volume: 436.25
  Hydrophobic surface: 683.876  Hydrophilic surface: 95.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.