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PUBCHEM-ZINC02522710

 MMsINC code: MMs02893355
Type: Neutral
Formula: C10H23O4P
SMILES:   P(OCCCCC)(OCCCCC)(O)=O
InChI:   InChI=1/C10H23O4P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-42.2842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.264 g/mol  logS: -2.6396  SlogP: 2.4302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237313  Sterimol/B1: 2.85739  Sterimol/B2: 3.1742  Sterimol/B3: 3.30181
  Sterimol/B4: 4.58956  Sterimol/L: 19.3939 
 
 Surface and Volume Properties
  Accessible surface: 534.822  Positive charged surface: 396.872  Negative charged surface: 137.95  Volume: 243
  Hydrophobic surface: 391.56  Hydrophilic surface: 143.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02893356
PUBCHEM-ZINC02522710