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CHEMBRIDGE-ZINC02961592

 MMsINC code: MMs00743691
Type: Neutral
Formula: C14H20N2O3
SMILES:   O(CC)c1ccc(NC(=O)C(=O)N(CC)CC)cc1
InChI:   InChI=1/C14H20N2O3/c1-4-16(5-2)14(18)13(17)15-11-7-9-12(10-8-11)19-6-3/h7-10H,4-6H2,1-3H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.6492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.68556  SlogP: 1.8922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469237  Sterimol/B1: 2.13065  Sterimol/B2: 4.32306  Sterimol/B3: 4.63344
  Sterimol/B4: 4.80501  Sterimol/L: 17.2458 
 
 Surface and Volume Properties
  Accessible surface: 523.012  Positive charged surface: 364.38  Negative charged surface: 158.632  Volume: 266.875
  Hydrophobic surface: 393.579  Hydrophilic surface: 129.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.