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ACROSORGANICS-ZINC01586747

 MMsINC code: MMs00009579
Type: Neutral
Formula: C7H14O4
SMILES:   O(C(=O)CCC)CC(O)CO
InChI:   InChI=1/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=25.5313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.185 g/mol  logS: -0.31798  SlogP: -0.3171  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.045607  Sterimol/B1: 2.70431  Sterimol/B2: 2.90181  Sterimol/B3: 3.19645
  Sterimol/B4: 3.34147  Sterimol/L: 14.2548 
 
 Surface and Volume Properties
  Accessible surface: 385.605  Positive charged surface: 286.432  Negative charged surface: 99.1729  Volume: 159.125
  Hydrophobic surface: 226.864  Hydrophilic surface: 158.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.