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NCID-ZINC01613279

 MMsINC code: MMs02263445
Type: Neutral
Formula: C14H11O2P
SMILES:   [PH](O)(=O)c1c2c(c3c(c1)cccc3)cccc2
InChI:   InChI=1/C14H11O2P/c15-17(16)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,17H,(H,15,16)

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Potential Energy
Epot(MMFF94)=54.2368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.214 g/mol  logS: -5.20259  SlogP: 2.0151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167257  Sterimol/B1: 2.54988  Sterimol/B2: 2.742  Sterimol/B3: 3.98245
  Sterimol/B4: 6.96017  Sterimol/L: 11.7104 
 
 Surface and Volume Properties
  Accessible surface: 429.25  Positive charged surface: 176.507  Negative charged surface: 231.114  Volume: 221.375
  Hydrophobic surface: 347.276  Hydrophilic surface: 81.974
 
 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.