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NCID-ZINC04410897

 MMsINC code: MMs02385640
Type: Neutral
Formula: C28H18N2O4
SMILES:   O=C1c2c(C(=O)c3c1cccc3)c(NC(=O)c1ccccc1)ccc2NC(=O)c1ccccc1
InChI:   InChI=1/C28H18N2O4/c31-25-19-13-7-8-14-20(19)26(32)24-22(30-28(34)18-11-5-2-6-12-18)16-15-21(23(24)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.462 g/mol  logS: -7.82498  SlogP: 4.9666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112151  Sterimol/B1: 2.47035  Sterimol/B2: 2.91142  Sterimol/B3: 3.48713
  Sterimol/B4: 9.74123  Sterimol/L: 20.494 
 
 Surface and Volume Properties
  Accessible surface: 709.654  Positive charged surface: 369.947  Negative charged surface: 339.707  Volume: 412.375
  Hydrophobic surface: 598.142  Hydrophilic surface: 111.512
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.