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PUBCHEM-ZINC05592084

 MMsINC code: MMs03316279
Type: Neutral
Formula: C10H17NO3
SMILES:   O(C(=O)C(=O)N1CCC(CC1)C)CC
InChI:   InChI=1/C10H17NO3/c1-3-14-10(13)9(12)11-6-4-8(2)5-7-11/h8H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.2722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -1.66187  SlogP: 0.808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627152  Sterimol/B1: 2.67035  Sterimol/B2: 3.70658  Sterimol/B3: 3.95631
  Sterimol/B4: 4.08947  Sterimol/L: 14.3998 
 
 Surface and Volume Properties
  Accessible surface: 424.964  Positive charged surface: 321.98  Negative charged surface: 102.984  Volume: 200.375
  Hydrophobic surface: 309.594  Hydrophilic surface: 115.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.