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NCID-ZINC01575539

 MMsINC code: MMs02234347
Type: Neutral
Formula: C19H21N3O4
SMILES:   O(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N
InChI:   InChI=1/C19H21N3O4/c20-18(24)16(11-14-7-3-1-4-8-14)22-17(23)12-21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H2,20,24)(H,21,25)(H,22,23)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.394 g/mol  logS: -3.88833  SlogP: 1.39197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593496  Sterimol/B1: 2.55599  Sterimol/B2: 3.45294  Sterimol/B3: 4.29094
  Sterimol/B4: 9.27701  Sterimol/L: 17.8217 
 
 Surface and Volume Properties
  Accessible surface: 654.034  Positive charged surface: 391.101  Negative charged surface: 262.932  Volume: 339.5
  Hydrophobic surface: 453.518  Hydrophilic surface: 200.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.