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AURORAFEINCHEMIE-ZINC00758704

 MMsINC code: MMs00447759
Type: Neutral
Formula: C14H15O2P
SMILES:   P(O)(=O)(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C14H15O2P/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=55.787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.246 g/mol  logS: -2.54744  SlogP: 3.1198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0916532  Sterimol/B1: 2.10681  Sterimol/B2: 3.59351  Sterimol/B3: 3.84607
  Sterimol/B4: 4.63597  Sterimol/L: 14.6625 
 
 Surface and Volume Properties
  Accessible surface: 473.362  Positive charged surface: 260.249  Negative charged surface: 213.113  Volume: 242.875
  Hydrophobic surface: 420.796  Hydrophilic surface: 52.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00447760
AURORAFEINCHEMIE-ZINC00758704