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CHEMDIV-ZINC03665876

 MMsINC code: MMs00916173
Type: Neutral
Formula: C24H23N3O4
SMILES:   O(C)c1cc(N2C(O)(c3c(NC2=O)cccc3)C(=O)NCc2ccc(cc2)C)ccc1
InChI:   InChI=1/C24H23N3O4/c1-16-10-12-17(13-11-16)15-25-22(28)24(30)20-8-3-4-9-21(20)26-23(29)27(24)18-6-5-7-19(14-18)31-2/h3-14,30H,15H2,1-2H3,(H,25,28)(H,26,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -5.58665  SlogP: 4.09512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1332  Sterimol/B1: 2.51067  Sterimol/B2: 3.66144  Sterimol/B3: 5.20886
  Sterimol/B4: 10.234  Sterimol/L: 17.4943 
 
 Surface and Volume Properties
  Accessible surface: 677.557  Positive charged surface: 411.79  Negative charged surface: 265.767  Volume: 394.125
  Hydrophobic surface: 554.323  Hydrophilic surface: 123.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.