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NCID-ZINC01640386

 MMsINC code: MMs02282424
Type: Neutral
Formula: C26H20P2
SMILES:   P(C#CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.394 g/mol  logS: -7.24854  SlogP: 5.17061  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0980581  Sterimol/B1: 2.34306  Sterimol/B2: 3.40641  Sterimol/B3: 4.18659
  Sterimol/B4: 9.96229  Sterimol/L: 13.8949 
 
 Surface and Volume Properties
  Accessible surface: 702.335  Positive charged surface: 402.819  Negative charged surface: 299.515  Volume: 403.125
  Hydrophobic surface: 702.335  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.