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ACROSORGANICS-ZINC00901159

 MMsINC code: MMs00008258
Type: Neutral
Formula: C3H8O
SMILES:   OC(C)C
InChI:   InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.50757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 60.096 g/mol  logS: -0.04242  SlogP: 0.3871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.274168  Sterimol/B1: 1.51616  Sterimol/B2: 2.20425  Sterimol/B3: 3.98256
  Sterimol/B4: 4.25262  Sterimol/L: 7.12429 
 
 Surface and Volume Properties
  Accessible surface: 224.733  Positive charged surface: 160.484  Negative charged surface: 64.2482  Volume: 73.375
  Hydrophobic surface: 130.376  Hydrophilic surface: 94.357
 
 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.