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CHEMDIV-ZINC06753267

 MMsINC code: MMs01016435
Type: Neutral
Formula: C24H20N4O3
SMILES:   Oc1ccc(cc1-c1n[nH]c2c1C(N(Cc1cccnc1)C2=O)c1cc(O)ccc1)C
InChI:   InChI=1/C24H20N4O3/c1-14-7-8-19(30)18(10-14)21-20-22(27-26-21)24(31)28(13-15-4-3-9-25-12-15)23(20)16-5-2-6-17(29)11-16/h2-12,23,29-30H,13H2,1H3,(H,26,27)/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=105.864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.449 g/mol  logS: -4.55924  SlogP: 4.29862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.354207  Sterimol/B1: 1.96936  Sterimol/B2: 4.01332  Sterimol/B3: 6.98358
  Sterimol/B4: 7.90742  Sterimol/L: 15.0075 
 
 Surface and Volume Properties
  Accessible surface: 652.389  Positive charged surface: 409.626  Negative charged surface: 242.764  Volume: 385.75
  Hydrophobic surface: 442.311  Hydrophilic surface: 210.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.