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PUBCHEM-ZINC02520347

 MMsINC code: MMs02892442
Type: Neutral
Formula: C23H20N4O4
SMILES:   Oc1cc(ccc1)\C=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C23H20N4O4/c1-15-6-4-8-17(12-15)25-21(29)19-10-2-3-11-20(19)26-22(30)23(31)27-24-14-16-7-5-9-18(28)13-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-14+

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Potential Energy
Epot(MMFF94)=145.139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.437 g/mol  logS: -5.84864  SlogP: 3.04172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144975  Sterimol/B1: 2.41131  Sterimol/B2: 2.79815  Sterimol/B3: 4.07493
  Sterimol/B4: 10.6851  Sterimol/L: 21.7702 
 
 Surface and Volume Properties
  Accessible surface: 725.443  Positive charged surface: 421.733  Negative charged surface: 303.711  Volume: 387
  Hydrophobic surface: 528.28  Hydrophilic surface: 197.163
 
 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.