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PUBCHEM-ZINC04664762

 MMsINC code: MMs03149873
Type: Neutral
Formula: C10H19NO6
SMILES:   O1C(CO)C(O)C(O)C(O)C1NC(=O)CCC
InChI:   InChI=1/C10H19NO6/c1-2-3-6(13)11-10-9(16)8(15)7(14)5(4-12)17-10/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7+,8+,9+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.3223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.263 g/mol  logS: 0.15049  SlogP: -2.2974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113961  Sterimol/B1: 2.7021  Sterimol/B2: 4.14586  Sterimol/B3: 4.58066
  Sterimol/B4: 5.47176  Sterimol/L: 13.6849 
 
 Surface and Volume Properties
  Accessible surface: 468.356  Positive charged surface: 358.535  Negative charged surface: 109.821  Volume: 224.25
  Hydrophobic surface: 234.887  Hydrophilic surface: 233.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.