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NCID-ZINC01719964

 MMsINC code: MMs02344972
Type: Neutral
Formula: C3H10NO2PS
SMILES:   S(P(OCC)(=O)N)C
InChI:   InChI=1/C3H10NO2PS/c1-3-6-7(4,5)8-2/h3H2,1-2H3,(H2,4,5)/t7-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-37.7995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.158 g/mol  logS: -0.87375  SlogP: 0.3825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842249  Sterimol/B1: 2.6839  Sterimol/B2: 3.12169  Sterimol/B3: 3.88759
  Sterimol/B4: 4.08885  Sterimol/L: 10.7454 
 
 Surface and Volume Properties
  Accessible surface: 332.116  Positive charged surface: 196.678  Negative charged surface: 135.438  Volume: 135.5
  Hydrophobic surface: 174.46  Hydrophilic surface: 157.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.