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PUBCHEM-ZINC04095708

 MMsINC code: MMs03089507
Type: Ionized
Formula: C6H11O6-
SMILES:   OC(C(O)C(O)C)C(O)C(=O)[O-]
InChI:   InChI=1/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/p-1/t2-,3-,4+,5+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.2551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.148 g/mol  logS: 0.63612  SlogP: -3.8002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165999  Sterimol/B1: 3.18519  Sterimol/B2: 3.34507  Sterimol/B3: 3.7043
  Sterimol/B4: 3.79915  Sterimol/L: 11.3801 
 
 Surface and Volume Properties
  Accessible surface: 338.626  Positive charged surface: 200.52  Negative charged surface: 138.106  Volume: 148.625
  Hydrophobic surface: 109.154  Hydrophilic surface: 229.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs03089506
PUBCHEM-ZINC04095708