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NCID-ZINC01703528

 MMsINC code: MMs02332556
Type: Neutral
Formula: C13H13O3P
SMILES:   P(O)(O)(=O)Cc1ccccc1-c1ccccc1
InChI:   InChI=1/C13H13O3P/c14-17(15,16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10H2,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=20.8171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.218 g/mol  logS: -3.1153  SlogP: 2.2275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204495  Sterimol/B1: 3.56545  Sterimol/B2: 3.59977  Sterimol/B3: 5.00624
  Sterimol/B4: 5.85047  Sterimol/L: 11.9203 
 
 Surface and Volume Properties
  Accessible surface: 440.628  Positive charged surface: 242.308  Negative charged surface: 196.522  Volume: 228.125
  Hydrophobic surface: 324.006  Hydrophilic surface: 116.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.