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PUBCHEM-ZINC02522710

 MMsINC code: MMs02893356
Type: Ionized
Formula: C10H22O4P-
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)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-27.9992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.256 g/mol  logS: -2.71112  SlogP: 1.7982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019981  Sterimol/B1: 2.63748  Sterimol/B2: 3.12368  Sterimol/B3: 3.12951
  Sterimol/B4: 4.29088  Sterimol/L: 19.2395 
 
 Surface and Volume Properties
  Accessible surface: 530.689  Positive charged surface: 381.035  Negative charged surface: 149.653  Volume: 238.375
  Hydrophobic surface: 401.686  Hydrophilic surface: 129.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02893355
PUBCHEM-ZINC02522710