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ACROSORGANICS-ZINC01555526

 MMsINC code: MMs00009166
Type: Neutral
Formula: C21H21O4P
SMILES:   P(Oc1ccccc1C)(Oc1ccccc1C)(Oc1ccccc1C)=O
InChI:   InChI=1/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.9363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.369 g/mol  logS: -5.45359  SlogP: 5.18656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.271358  Sterimol/B1: 1.99556  Sterimol/B2: 3.08766  Sterimol/B3: 6.76603
  Sterimol/B4: 8.26694  Sterimol/L: 13.9539 
 
 Surface and Volume Properties
  Accessible surface: 596.793  Positive charged surface: 353.957  Negative charged surface: 242.836  Volume: 353
  Hydrophobic surface: 583.572  Hydrophilic surface: 13.221
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.