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ACROSORGANICS-ZINC01577195

 MMsINC code: MMs00009431
Type: Neutral
Formula: C21H21O4P
SMILES:   P(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)=O
InChI:   InChI=1/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.369 g/mol  logS: -6.39394  SlogP: 5.18656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652243  Sterimol/B1: 2.40765  Sterimol/B2: 4.3505  Sterimol/B3: 4.40916
  Sterimol/B4: 8.81356  Sterimol/L: 16.7339 
 
 Surface and Volume Properties
  Accessible surface: 617.267  Positive charged surface: 343.719  Negative charged surface: 273.549  Volume: 351.25
  Hydrophobic surface: 572.931  Hydrophilic surface: 44.336
 
 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.