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NCID-ZINC05409521

 MMsINC code: MMs02459643
Type: Neutral
Formula: C24H15OP
SMILES:   P(=O)(C#Cc1ccccc1)(C#Cc1ccccc1)C#Cc1ccccc1
InChI:   InChI=1/C24H15OP/c25-26(19-16-22-10-4-1-5-11-22,20-17-23-12-6-2-7-13-23)21-18-24-14-8-3-9-15-24/h1-15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.1828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.357 g/mol  logS: -7.35856  SlogP: 4.30692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.096656  Sterimol/B1: 3.4643  Sterimol/B2: 5.54598  Sterimol/B3: 8.21719
  Sterimol/B4: 8.25649  Sterimol/L: 15.9002 
 
 Surface and Volume Properties
  Accessible surface: 716.522  Positive charged surface: 325.18  Negative charged surface: 391.342  Volume: 361.75
  Hydrophobic surface: 635.704  Hydrophilic surface: 80.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.