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PUBCHEM-ZINC03644162

 MMsINC code: MMs03032393
Type: Neutral
Formula: C10H23O2PS
SMILES:   S(P(OCCCC)(=O)CC)CCCC
InChI:   InChI=1/C10H23O2PS/c1-4-7-9-12-13(11,6-3)14-10-8-5-2/h4-10H2,1-3H3/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.96226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.332 g/mol  logS: -2.87623  SlogP: 3.4792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542169  Sterimol/B1: 2.9012  Sterimol/B2: 3.57129  Sterimol/B3: 3.70022
  Sterimol/B4: 6.23178  Sterimol/L: 16.4959 
 
 Surface and Volume Properties
  Accessible surface: 506.699  Positive charged surface: 351.246  Negative charged surface: 155.453  Volume: 248.875
  Hydrophobic surface: 375.434  Hydrophilic surface: 131.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.