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ENAMINE-ZINC05677979

 MMsINC code: MMs01632100
Type: Neutral
Formula: C24H20N2O4
SMILES:   O=C1N(CCCC(=O)Nc2cc(ccc2)C(=O)C)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C24H20N2O4/c1-15(27)17-8-2-9-18(14-17)25-21(28)12-5-13-26-23(29)19-10-3-6-16-7-4-11-20(22(16)19)24(26)30/h2-4,6-11,14H,5,12-13H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.0145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -6.205  SlogP: 4.0573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700326  Sterimol/B1: 2.56096  Sterimol/B2: 4.18409  Sterimol/B3: 4.98517
  Sterimol/B4: 7.60046  Sterimol/L: 18.4689 
 
 Surface and Volume Properties
  Accessible surface: 679.881  Positive charged surface: 387.784  Negative charged surface: 280.811  Volume: 374.75
  Hydrophobic surface: 534.681  Hydrophilic surface: 145.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.