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NCID-ZINC04722254

 MMsINC code: MMs02397511
Type: Neutral
Formula: C24H18N4O4
SMILES:   Oc1ccc2c(cccc2)c1\C=N/NC(=O)C(=O)N\N=C/c1c2c(ccc1O)cccc2
InChI:   InChI=1/C24H18N4O4/c29-21-11-9-15-5-1-3-7-17(15)19(21)13-25-27-23(31)24(32)28-26-14-20-18-8-4-2-6-16(18)10-12-22(20)30/h1-14,29-30H,(H,27,31)(H,28,32)/b25-13-,26-14-

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Potential Energy
Epot(MMFF94)=188.057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.432 g/mol  logS: -6.98182  SlogP: 3.0046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870532  Sterimol/B1: 2.52793  Sterimol/B2: 3.77609  Sterimol/B3: 4.57365
  Sterimol/B4: 8.08977  Sterimol/L: 18.2594 
 
 Surface and Volume Properties
  Accessible surface: 694.019  Positive charged surface: 385.606  Negative charged surface: 290.139  Volume: 391.625
  Hydrophobic surface: 480.371  Hydrophilic surface: 213.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.