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NCID-ZINC01757596

 MMsINC code: MMs02365475
Type: Neutral
Formula: C6H10O5
SMILES:   O1C(C(O)C(O)C(O)C)C1=O
InChI:   InChI=1/C6H10O5/c1-2(7)3(8)4(9)5-6(10)11-5/h2-5,7-9H,1H3/t2-,3+,4+,5-/m1/s1

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Potential Energy
Epot(MMFF94)=56.1281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.13286  SlogP: -1.9856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163604  Sterimol/B1: 2.57201  Sterimol/B2: 3.25341  Sterimol/B3: 3.60918
  Sterimol/B4: 3.70634  Sterimol/L: 11.3092 
 
 Surface and Volume Properties
  Accessible surface: 333.328  Positive charged surface: 205.32  Negative charged surface: 128.008  Volume: 141.125
  Hydrophobic surface: 112.819  Hydrophilic surface: 220.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.