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NCID-ZINC05328725

 MMsINC code: MMs02451677
Type: Neutral
Formula: C5H10OS
SMILES:   S1CCOC1(C)C
InChI:   InChI=1/C5H10OS/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.45 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.2 g/mol  logS: -1.58428  SlogP: 1.4859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219925  Sterimol/B1: 2.29095  Sterimol/B2: 2.77337  Sterimol/B3: 3.93069
  Sterimol/B4: 4.88421  Sterimol/L: 8.11499 
 
 Surface and Volume Properties
  Accessible surface: 292.972  Positive charged surface: 205.376  Negative charged surface: 87.5955  Volume: 120.625
  Hydrophobic surface: 205.376  Hydrophilic surface: 87.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.