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ACROSORGANICS-ZINC01632700

 MMsINC code: MMs00009994
Type: Neutral
Formula: C5H10O
SMILES:   OCCCC=C
InChI:   InChI=1/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2

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Potential Energy
Epot(MMFF94)=6.12821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.134 g/mol  logS: -0.59482  SlogP: 0.9449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0975949  Sterimol/B1: 2.4548  Sterimol/B2: 2.55864  Sterimol/B3: 3.19606
  Sterimol/B4: 3.35132  Sterimol/L: 10.4312 
 
 Surface and Volume Properties
  Accessible surface: 285.37  Positive charged surface: 202.386  Negative charged surface: 82.9845  Volume: 103.375
  Hydrophobic surface: 178.789  Hydrophilic surface: 106.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.