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PUBCHEM-ZINC01846647

 MMsINC code: MMs02824236
Type: Neutral
Formula: C8H20NO3PS
SMILES:   S(P(OCC)(OCC)=O)CCN(C)C
InChI:   InChI=1/C8H20NO3PS/c1-5-11-13(10,12-6-2)14-8-7-9(3)4/h5-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.03668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.292 g/mol  logS: -1.26749  SlogP: 1.3921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879995  Sterimol/B1: 2.2704  Sterimol/B2: 3.31725  Sterimol/B3: 3.83613
  Sterimol/B4: 8.0311  Sterimol/L: 13.6514 
 
 Surface and Volume Properties
  Accessible surface: 486.416  Positive charged surface: 378.243  Negative charged surface: 108.173  Volume: 233.375
  Hydrophobic surface: 376.826  Hydrophilic surface: 109.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02824237
PUBCHEM-ZINC01846647