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IFLAB-ZINC02456498

 MMsINC code: MMs01989730
Type: Neutral
Formula: C16H20N2O4
SMILES:   OC(=O)CCCC(=O)N1CCN(CC1)C(=O)c1ccccc1
InChI:   InChI=1/C16H20N2O4/c19-14(7-4-8-15(20)21)17-9-11-18(12-10-17)16(22)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.4361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.346 g/mol  logS: -1.60189  SlogP: 1.2259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483588  Sterimol/B1: 2.39417  Sterimol/B2: 3.12209  Sterimol/B3: 3.57472
  Sterimol/B4: 7.10797  Sterimol/L: 17.3335 
 
 Surface and Volume Properties
  Accessible surface: 556.387  Positive charged surface: 372.327  Negative charged surface: 184.06  Volume: 289.25
  Hydrophobic surface: 391.26  Hydrophilic surface: 165.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01989731
IFLAB-ZINC02456498