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PUBCHEM-ZINC05851628

 MMsINC code: MMs03417086
Type: Neutral
Formula: C24H27O4P
SMILES:   P(OCCc1ccccc1)(OCCc1ccccc1)(OCCc1ccccc1)=O
InChI:   InChI=1/C24H27O4P/c25-29(26-19-16-22-10-4-1-5-11-22,27-20-17-23-12-6-2-7-13-23)28-21-18-24-14-8-3-9-15-24/h1-15H,16-21H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.0004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.45 g/mol  logS: -5.35405  SlogP: 4.80211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361416  Sterimol/B1: 3.03984  Sterimol/B2: 3.60625  Sterimol/B3: 3.76099
  Sterimol/B4: 10.3278  Sterimol/L: 20.1877 
 
 Surface and Volume Properties
  Accessible surface: 764.323  Positive charged surface: 429.141  Negative charged surface: 335.182  Volume: 407.25
  Hydrophobic surface: 710.859  Hydrophilic surface: 53.464
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.