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ACROSORGANICS-ZINC04283892

 MMsINC code: MMs00017938
Type: Neutral
Formula: C12H24O11
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC(C(O)C(O)CO)C(O)CO
InChI:   InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5-,6-,7-,8+,9+,10-,11+,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.313 g/mol  logS: 1.91747  SlogP: -5.7612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29778  Sterimol/B1: 2.84004  Sterimol/B2: 5.53029  Sterimol/B3: 5.63376
  Sterimol/B4: 5.71921  Sterimol/L: 11.7498 
 
 Surface and Volume Properties
  Accessible surface: 541.698  Positive charged surface: 416.181  Negative charged surface: 125.517  Volume: 290.125
  Hydrophobic surface: 193.344  Hydrophilic surface: 348.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 9  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.