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NCID-ZINC03869800

 MMsINC code: MMs02381234
Type: Neutral
Formula: C6H10O7
SMILES:   O1C(C(O)=O)C(O)C(O)C(O)C1O
InChI:   InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6-/m0/s1

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Potential Energy
Epot(MMFF94)=60.3876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.139 g/mol  logS: 1.05157  SlogP: -3.1291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.291762  Sterimol/B1: 2.35644  Sterimol/B2: 3.16424  Sterimol/B3: 3.52529
  Sterimol/B4: 5.62393  Sterimol/L: 9.84663 
 
 Surface and Volume Properties
  Accessible surface: 343.874  Positive charged surface: 236.28  Negative charged surface: 107.593  Volume: 149.125
  Hydrophobic surface: 77.2363  Hydrophilic surface: 266.6377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs02381235
NCID-ZINC03869800