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PUBCHEM-ZINC00401978

 MMsINC code: MMs02676020
Type: Neutral
Formula: C18H20N2O3
SMILES:   O(c1ccc(NC(=O)CC)cc1)c1ccc(NC(=O)CC)cc1
InChI:   InChI=1/C18H20N2O3/c1-3-17(21)19-13-5-9-15(10-6-13)23-16-11-7-14(8-12-16)20-18(22)4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.8979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -3.99003  SlogP: 4.1759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469082  Sterimol/B1: 2.63928  Sterimol/B2: 2.96945  Sterimol/B3: 4.70886
  Sterimol/B4: 8.06146  Sterimol/L: 17.3046 
 
 Surface and Volume Properties
  Accessible surface: 606.107  Positive charged surface: 397.274  Negative charged surface: 208.833  Volume: 306.75
  Hydrophobic surface: 475.185  Hydrophilic surface: 130.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.