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ACROSORGANICS-ZINC00388464

 MMsINC code: MMs00007025
Type: Neutral
Formula: C6H10O2
SMILES:   OC(=O)C1CCCC1
InChI:   InChI=1/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.4311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.144 g/mol  logS: -0.92568  SlogP: 1.2612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166294  Sterimol/B1: 2.6227  Sterimol/B2: 2.62697  Sterimol/B3: 3.12315
  Sterimol/B4: 4.48711  Sterimol/L: 8.97992 
 
 Surface and Volume Properties
  Accessible surface: 287.699  Positive charged surface: 208.091  Negative charged surface: 79.6079  Volume: 117.125
  Hydrophobic surface: 195.344  Hydrophilic surface: 92.355
 
 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


MMs00007026
ACROSORGANICS-ZINC00388464