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PUBCHEM-ZINC05763672

 MMsINC code: MMs03377034
Type: Neutral
Formula: C12H25O3PS
SMILES:   S=P(OC1CC(CCC1C(C)C)C)(OC)OC
InChI:   InChI=1/C12H25O3PS/c1-9(2)11-7-6-10(3)8-12(11)15-16(17,13-4)14-5/h9-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.6522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.369 g/mol  logS: -4.33779  SlogP: 3.9811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198312  Sterimol/B1: 2.34169  Sterimol/B2: 3.49586  Sterimol/B3: 4.35929
  Sterimol/B4: 8.72968  Sterimol/L: 12.4474 
 
 Surface and Volume Properties
  Accessible surface: 492.711  Positive charged surface: 368.104  Negative charged surface: 124.607  Volume: 275
  Hydrophobic surface: 381.912  Hydrophilic surface: 110.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.