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IBS-ZINC00530960

 MMsINC code: MMs01747744
Type: Neutral
Formula: C17H21FNO3P
SMILES:   P(OCC)(=O)(C(O)c1ccccc1F)c1ccc(N(C)C)cc1
InChI:   InChI=1/C17H21FNO3P/c1-4-22-23(21,14-11-9-13(10-12-14)19(2)3)17(20)15-7-5-6-8-16(15)18/h5-12,17,20H,4H2,1-3H3/t17-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=102.273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.331 g/mol  logS: -3.17637  SlogP: 2.548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685479  Sterimol/B1: 1.969  Sterimol/B2: 2.39413  Sterimol/B3: 4.9894
  Sterimol/B4: 7.62642  Sterimol/L: 16.732 
 
 Surface and Volume Properties
  Accessible surface: 569.553  Positive charged surface: 376.178  Negative charged surface: 193.375  Volume: 315.625
  Hydrophobic surface: 498.387  Hydrophilic surface: 71.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.