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AURORAFEINCHEMIE-ZINC03956998

 MMsINC code: MMs00458719
Type: Neutral
Formula: C23H21O3P
SMILES:   [PH](O)(=O)C1C(C=C(OC1c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H21O3P/c24-27(25)23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)26-22(23)19-14-8-3-9-15-19/h1-16,20,22-23,27H,(H,24,25)/t20-,22-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.9265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.392 g/mol  logS: -5.60377  SlogP: 4.4437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167265  Sterimol/B1: 2.49048  Sterimol/B2: 2.94618  Sterimol/B3: 5.33484
  Sterimol/B4: 10.7342  Sterimol/L: 14.2065 
 
 Surface and Volume Properties
  Accessible surface: 597.597  Positive charged surface: 335.568  Negative charged surface: 262.029  Volume: 359.75
  Hydrophobic surface: 537.5  Hydrophilic surface: 60.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.