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OTAVA-ZINC00946747

 MMsINC code: MMs02557297
Type: Neutral
Formula: C24H28N4O4
SMILES:   O(C)c1cc(OC)c(OC)cc1\C=N\NC(=O)c1n[nH]c(c1)-c1ccc(cc1)CC(C)C
InChI:   InChI=1/C24H28N4O4/c1-15(2)10-16-6-8-17(9-7-16)19-12-20(27-26-19)24(29)28-25-14-18-11-22(31-4)23(32-5)13-21(18)30-3/h6-9,11-15H,10H2,1-5H3,(H,26,27)(H,28,29)/b25-14+

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Potential Energy
Epot(MMFF94)=153.135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.512 g/mol  logS: -6.69301  SlogP: 4.06487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00996465  Sterimol/B1: 3.26152  Sterimol/B2: 3.36069  Sterimol/B3: 4.06811
  Sterimol/B4: 6.30705  Sterimol/L: 24.5842 
 
 Surface and Volume Properties
  Accessible surface: 773.019  Positive charged surface: 567.929  Negative charged surface: 205.09  Volume: 424.875
  Hydrophobic surface: 576.562  Hydrophilic surface: 196.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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.