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ENAMINE-ZINC06786787

 MMsINC code: MMs01696799
Type: Neutral
Formula: C24H23N3O4
SMILES:   O(Cc1ccc(cc1)C(=O)NNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H23N3O4/c28-22(15-18-7-3-1-4-8-18)25-16-23(29)26-27-24(30)20-13-11-19(12-14-20)17-31-21-9-5-2-6-10-21/h1-14H,15-17H2,(H,25,28)(H,26,29)(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -5.63572  SlogP: 2.65187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199779  Sterimol/B1: 3.35247  Sterimol/B2: 3.67353  Sterimol/B3: 3.85484
  Sterimol/B4: 4.95732  Sterimol/L: 26.9123 
 
 Surface and Volume Properties
  Accessible surface: 771.466  Positive charged surface: 444.952  Negative charged surface: 326.514  Volume: 402.75
  Hydrophobic surface: 607.516  Hydrophilic surface: 163.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.