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ENAMINE-ZINC06788586

 MMsINC code: MMs01698269
Type: Neutral
Formula: C23H21N3O4
SMILES:   O(CC(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N)c1ccccc1Cc1ccccc1
InChI:   InChI=1/C23H21N3O4/c24-22(28)17-11-18(23(25)29)13-19(12-17)26-21(27)14-30-20-9-5-4-8-16(20)10-15-6-2-1-3-7-15/h1-9,11-13H,10,14H2,(H2,24,28)(H2,25,29)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.438 g/mol  logS: -5.73886  SlogP: 2.49267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293606  Sterimol/B1: 2.14226  Sterimol/B2: 2.3413  Sterimol/B3: 4.7794
  Sterimol/B4: 9.31043  Sterimol/L: 17.9749 
 
 Surface and Volume Properties
  Accessible surface: 671.935  Positive charged surface: 397.273  Negative charged surface: 274.662  Volume: 377.875
  Hydrophobic surface: 426.953  Hydrophilic surface: 244.982
 
 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.