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NCID-ZINC01613278

 MMsINC code: MMs02263444
Type: Neutral
Formula: C18H13O2P
SMILES:   [PH](O)(=O)c1c2c(c3c(c1)c1c(cc3)cccc1)cccc2
InChI:   InChI=1/C18H13O2P/c19-21(20)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,21H,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.7005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.274 g/mol  logS: -7.08047  SlogP: 3.1683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104315  Sterimol/B1: 2.51892  Sterimol/B2: 2.80276  Sterimol/B3: 5.19152
  Sterimol/B4: 5.47126  Sterimol/L: 14.1336 
 
 Surface and Volume Properties
  Accessible surface: 494.55  Positive charged surface: 198.716  Negative charged surface: 262.62  Volume: 269.125
  Hydrophobic surface: 411.903  Hydrophilic surface: 82.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.