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ACROSORGANICS-ZINC04284068

 MMsINC code: MMs00017982
Type: Neutral
Formula: C7H16O3
SMILES:   O(CC(O)CO)CCCC
InChI:   InChI=1/C7H16O3/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=28.4463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.202 g/mol  logS: -0.3723  SlogP: 0.1563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507107  Sterimol/B1: 2.66976  Sterimol/B2: 2.97065  Sterimol/B3: 3.11287
  Sterimol/B4: 3.26874  Sterimol/L: 14.2654 
 
 Surface and Volume Properties
  Accessible surface: 386.262  Positive charged surface: 308.781  Negative charged surface: 77.4813  Volume: 158.5
  Hydrophobic surface: 258.729  Hydrophilic surface: 127.533
 
 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.