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NCID-ZINC01703529

 MMsINC code: MMs02332557
Type: Neutral
Formula: C13H11O2P
SMILES:   P1(O)(=O)Cc2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C13H11O2P/c14-16(15)9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-8H,9H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=48.9236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.203 g/mol  logS: -3.38428  SlogP: 1.9591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780383  Sterimol/B1: 3.33157  Sterimol/B2: 3.39477  Sterimol/B3: 3.80114
  Sterimol/B4: 5.59808  Sterimol/L: 12.1594 
 
 Surface and Volume Properties
  Accessible surface: 411.399  Positive charged surface: 200.756  Negative charged surface: 201.638  Volume: 211.375
  Hydrophobic surface: 331.01  Hydrophilic surface: 80.389
 
 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.