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IBS-ZINC02397105

 MMsINC code: MMs01850612
Type: Neutral
Formula: C18H23FNO3P
SMILES:   P(OC(C)C)(=O)(C(O)c1ccccc1F)c1ccc(N(C)C)cc1
InChI:   InChI=1/C18H23FNO3P/c1-13(2)23-24(22,15-11-9-14(10-12-15)20(3)4)18(21)16-7-5-6-8-17(16)19/h5-13,18,21H,1-4H3/t18-,24+/m1/s1

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Potential Energy
Epot(MMFF94)=98.3777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.358 g/mol  logS: -3.50358  SlogP: 2.9365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110938  Sterimol/B1: 2.39643  Sterimol/B2: 2.72556  Sterimol/B3: 5.21453
  Sterimol/B4: 7.03659  Sterimol/L: 16.7226 
 
 Surface and Volume Properties
  Accessible surface: 594.068  Positive charged surface: 394.938  Negative charged surface: 199.13  Volume: 334.375
  Hydrophobic surface: 510.341  Hydrophilic surface: 83.727
 
 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.