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NCID-ZINC04403086

 MMsINC code: MMs02384562
Type: Neutral
Formula: C7H14O6
SMILES:   O1CC(O)C(O)C(O)C1(OC)CO
InChI:   InChI=1/C7H14O6/c1-12-7(3-8)6(11)5(10)4(9)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.7566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 0.72954  SlogP: -2.5657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256005  Sterimol/B1: 2.27053  Sterimol/B2: 2.96665  Sterimol/B3: 4.04248
  Sterimol/B4: 6.08538  Sterimol/L: 10.2015 
 
 Surface and Volume Properties
  Accessible surface: 357.201  Positive charged surface: 302.832  Negative charged surface: 54.3692  Volume: 166.875
  Hydrophobic surface: 187.157  Hydrophilic surface: 170.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02384563
NCID-ZINC04403086