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PUBCHEM-ZINC04614605

 MMsINC code: MMs03141741
Type: Neutral
Formula: C15H25NO3
SMILES:   OC(=O)C1CCCCC1C(=O)NC1CCCCC1C
InChI:   InChI=1/C15H25NO3/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(18)19/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t10-,11+,12-,13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.2599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.52764  SlogP: 2.5723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107158  Sterimol/B1: 2.26617  Sterimol/B2: 3.32915  Sterimol/B3: 3.67046
  Sterimol/B4: 7.6021  Sterimol/L: 12.9027 
 
 Surface and Volume Properties
  Accessible surface: 486.558  Positive charged surface: 368.082  Negative charged surface: 118.476  Volume: 270
  Hydrophobic surface: 373.043  Hydrophilic surface: 113.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03141742
PUBCHEM-ZINC04614605