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NCID-ZINC03870122

 MMsINC code: MMs02381303
Type: Neutral
Formula: C5H10O4
SMILES:   O1CC(O)C(O)C1CO
InChI:   InChI=1/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.9576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.7256  SlogP: -1.9007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139281  Sterimol/B1: 2.24688  Sterimol/B2: 2.88512  Sterimol/B3: 3.01765
  Sterimol/B4: 5.24915  Sterimol/L: 10.0571 
 
 Surface and Volume Properties
  Accessible surface: 301.947  Positive charged surface: 240.598  Negative charged surface: 61.3489  Volume: 121
  Hydrophobic surface: 146.628  Hydrophilic surface: 155.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.