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AURORAFEINCHEMIE-ZINC00301447

 MMsINC code: MMs00446438
Type: Neutral
Formula: C15H17O2P
SMILES:   P(=O)(Cc1ccccc1)(Cc1ccccc1)CO
InChI:   InChI=1/C15H17O2P/c16-13-18(17,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2

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Potential Energy
Epot(MMFF94)=63.4966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.273 g/mol  logS: -2.14102  SlogP: 3.1623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997748  Sterimol/B1: 2.11448  Sterimol/B2: 3.61078  Sterimol/B3: 4.62983
  Sterimol/B4: 5.03987  Sterimol/L: 14.6625 
 
 Surface and Volume Properties
  Accessible surface: 487.69  Positive charged surface: 292.88  Negative charged surface: 194.81  Volume: 261.75
  Hydrophobic surface: 431.144  Hydrophilic surface: 56.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.