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ENAMINE-ZINC03123432

 MMsINC code: MMs01290773
Type: Neutral
Formula: C15H18NO2P
SMILES:   P(Oc1ccccc1)(=O)(Nc1ccc(cc1)CC)C
InChI:   InChI=1/C15H18NO2P/c1-3-13-9-11-14(12-10-13)16-19(2,17)18-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,16,17)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=58.1073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.288 g/mol  logS: -3.56919  SlogP: 3.49257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0742774  Sterimol/B1: 2.31032  Sterimol/B2: 3.25393  Sterimol/B3: 4.30408
  Sterimol/B4: 5.43608  Sterimol/L: 16.7732 
 
 Surface and Volume Properties
  Accessible surface: 514.264  Positive charged surface: 304.071  Negative charged surface: 210.194  Volume: 270.25
  Hydrophobic surface: 418.913  Hydrophilic surface: 95.351
 
 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.