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CHEMBRIDGE-ZINC00282076

 MMsINC code: MMs00600859
Type: Neutral
Formula: C15H18NO2P
SMILES:   P(Oc1c(cccc1C)C)(=O)(Nc1ccccc1)C
InChI:   InChI=1/C15H18NO2P/c1-12-8-7-9-13(2)15(12)18-19(3,17)16-14-10-5-4-6-11-14/h4-11H,1-3H3,(H,16,17)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=69.9854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.288 g/mol  logS: -2.90099  SlogP: 3.54704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114092  Sterimol/B1: 2.22787  Sterimol/B2: 3.1282  Sterimol/B3: 4.70987
  Sterimol/B4: 7.25715  Sterimol/L: 14.8594 
 
 Surface and Volume Properties
  Accessible surface: 486.11  Positive charged surface: 285.21  Negative charged surface: 200.9  Volume: 268.625
  Hydrophobic surface: 431.295  Hydrophilic surface: 54.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.