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ACROSORGANICS-ZINC01693058

 MMsINC code: MMs00011150
Type: Neutral
Formula: C10H22O7
SMILES:   O(CC(CO)(CO)CO)CC(CO)(CO)CO
InChI:   InChI=1/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.279 g/mol  logS: 1.58028  SlogP: -3.0704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133093  Sterimol/B1: 2.21267  Sterimol/B2: 3.86574  Sterimol/B3: 4.55365
  Sterimol/B4: 4.55512  Sterimol/L: 13.9699 
 
 Surface and Volume Properties
  Accessible surface: 475.33  Positive charged surface: 412.639  Negative charged surface: 62.6915  Volume: 237.125
  Hydrophobic surface: 218.901  Hydrophilic surface: 256.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.