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ENAMINE-ZINC05720608

 MMsINC code: MMs01637081
Type: Neutral
Formula: C24H20N4O3
SMILES:   O(C)c1ccc(cc1)-c1nn(cc1\C=N\NC(=O)c1ccccc1O)-c1ccccc1
InChI:   InChI=1/C24H20N4O3/c1-31-20-13-11-17(12-14-20)23-18(16-28(27-23)19-7-3-2-4-8-19)15-25-26-24(30)21-9-5-6-10-22(21)29/h2-16,29H,1H3,(H,26,30)/b25-15+

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Potential Energy
Epot(MMFF94)=149.787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.449 g/mol  logS: -5.77567  SlogP: 4.0174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148091  Sterimol/B1: 2.18098  Sterimol/B2: 2.53713  Sterimol/B3: 3.61626
  Sterimol/B4: 11.7509  Sterimol/L: 19.8405 
 
 Surface and Volume Properties
  Accessible surface: 694.693  Positive charged surface: 421.154  Negative charged surface: 273.538  Volume: 394.25
  Hydrophobic surface: 567.975  Hydrophilic surface: 126.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.