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PUBCHEM-ZINC06310241

 MMsINC code: MMs03669656
Type: Neutral
Formula: C16H25NO4
SMILES:   O=C1N(CC(OCCCCC)=O)C(=O)CC2(C1)CCCC2
InChI:   InChI=1/C16H25NO4/c1-2-3-6-9-21-15(20)12-17-13(18)10-16(11-14(17)19)7-4-5-8-16/h2-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.379 g/mol  logS: -4.08531  SlogP: 2.4292  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0473615  Sterimol/B1: 3.41437  Sterimol/B2: 3.875  Sterimol/B3: 4.02005
  Sterimol/B4: 5.63959  Sterimol/L: 17.9253 
 
 Surface and Volume Properties
  Accessible surface: 561.254  Positive charged surface: 413.74  Negative charged surface: 147.514  Volume: 294.875
  Hydrophobic surface: 439.86  Hydrophilic surface: 121.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.