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ACROSORGANICS-ZINC04284522

 MMsINC code: MMs00018171
Type: Neutral
Formula: C6H10O4
SMILES:   O1C=CC(O)C(O)C1CO
InChI:   InChI=1/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.4182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: 0.57481  SlogP: -1.387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0972132  Sterimol/B1: 2.80943  Sterimol/B2: 2.86955  Sterimol/B3: 3.34445
  Sterimol/B4: 5.19746  Sterimol/L: 10.2194 
 
 Surface and Volume Properties
  Accessible surface: 321.21  Positive charged surface: 220.116  Negative charged surface: 101.094  Volume: 130.875
  Hydrophobic surface: 157.174  Hydrophilic surface: 164.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.