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ACROSORGANICS-ZINC03860880

 MMsINC code: MMs00015619
Type: Neutral
Formula: C3H6O2S
SMILES:   SCC(OC)=O
InChI:   InChI=1/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3

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Potential Energy
Epot(MMFF94)=17.9548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.145 g/mol  logS: -0.98717  SlogP: 0.0892  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0558971  Sterimol/B1: 2.37493  Sterimol/B2: 2.37547  Sterimol/B3: 2.47739
  Sterimol/B4: 3.15712  Sterimol/L: 9.71797 
 
 Surface and Volume Properties
  Accessible surface: 270.309  Positive charged surface: 183.465  Negative charged surface: 86.8447  Volume: 97.25
  Hydrophobic surface: 169.985  Hydrophilic surface: 100.324
 
 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.