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CHEMBRIDGE-ZINC00282022

 MMsINC code: MMs00600848
Type: Neutral
Formula: C15H18NO2P
SMILES:   P(Oc1ccccc1)(=O)(Nc1ccc(cc1C)C)C
InChI:   InChI=1/C15H18NO2P/c1-12-9-10-15(13(2)11-12)16-19(3,17)18-14-7-5-4-6-8-14/h4-11H,1-3H3,(H,16,17)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=64.7222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.288 g/mol  logS: -3.21444  SlogP: 3.54704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731971  Sterimol/B1: 2.5513  Sterimol/B2: 3.59813  Sterimol/B3: 3.9473
  Sterimol/B4: 6.22003  Sterimol/L: 15.9914 
 
 Surface and Volume Properties
  Accessible surface: 513.15  Positive charged surface: 295.692  Negative charged surface: 217.457  Volume: 268.625
  Hydrophobic surface: 453.44  Hydrophilic surface: 59.71
 
 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.