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ACROSORGANICS-ZINC01532752

 MMsINC code: MMs00009081
Type: Neutral
Formula: C5H10O2
SMILES:   OC(=O)CCCC
InChI:   InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

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Potential Energy
Epot(MMFF94)=-6.1867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.133 g/mol  logS: -0.82595  SlogP: 1.2612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748923  Sterimol/B1: 2.37519  Sterimol/B2: 2.37604  Sterimol/B3: 2.90708
  Sterimol/B4: 3.01949  Sterimol/L: 10.6421 
 
 Surface and Volume Properties
  Accessible surface: 288.982  Positive charged surface: 204.018  Negative charged surface: 84.9635  Volume: 109.375
  Hydrophobic surface: 166.317  Hydrophilic surface: 122.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00009082
ACROSORGANICS-ZINC01532752