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CHEMDIV-ZINC02943076

 MMsINC code: MMs00895854
Type: Neutral
Formula: C24H28N4O5
SMILES:   O1CCN(CC1)CCCNC(=O)C1=NN(C(=O)c2c1cccc2)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C24H28N4O5/c1-31-18-14-17(15-19(16-18)32-2)28-24(30)21-7-4-3-6-20(21)22(26-28)23(29)25-8-5-9-27-10-12-33-13-11-27/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.511 g/mol  logS: -4.57379  SlogP: 1.9068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477622  Sterimol/B1: 2.06905  Sterimol/B2: 2.19215  Sterimol/B3: 5.49376
  Sterimol/B4: 13.3535  Sterimol/L: 18.2473 
 
 Surface and Volume Properties
  Accessible surface: 776.15  Positive charged surface: 596.61  Negative charged surface: 179.541  Volume: 428.875
  Hydrophobic surface: 663.064  Hydrophilic surface: 113.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules


MMs00895855
CHEMDIV-ZINC02943076