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PUBCHEM-ZINC02520261

 MMsINC code: MMs02892362
Type: Neutral
Formula: C27H22N4O4
SMILES:   Oc1ccc2c(cccc2)c1\C=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C27H22N4O4/c1-17-7-6-9-19(15-17)29-25(33)21-11-4-5-12-23(21)30-26(34)27(35)31-28-16-22-20-10-3-2-8-18(20)13-14-24(22)32/h2-16,32H,1H3,(H,29,33)(H,30,34)(H,31,35)/b28-16+

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Potential Energy
Epot(MMFF94)=177.797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.497 g/mol  logS: -7.72652  SlogP: 4.19492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166996  Sterimol/B1: 2.78226  Sterimol/B2: 2.78499  Sterimol/B3: 3.96657
  Sterimol/B4: 10.5848  Sterimol/L: 22.9683 
 
 Surface and Volume Properties
  Accessible surface: 787.566  Positive charged surface: 443.755  Negative charged surface: 332.707  Volume: 434.625
  Hydrophobic surface: 609.202  Hydrophilic surface: 178.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.