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IBS-ZINC02376394

 MMsINC code: MMs01847190
Type: Neutral
Formula: C19H25FNO3P
SMILES:   P(OCC(C)C)(=O)(C(O)c1ccccc1F)c1ccc(N(C)C)cc1
InChI:   InChI=1/C19H25FNO3P/c1-14(2)13-24-25(23,16-11-9-15(10-12-16)21(3)4)19(22)17-7-5-6-8-18(17)20/h5-12,14,19,22H,13H2,1-4H3/t19-,25+/m1/s1

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Potential Energy
Epot(MMFF94)=97.7088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.385 g/mol  logS: -3.57991  SlogP: 3.1841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967893  Sterimol/B1: 2.32835  Sterimol/B2: 2.85549  Sterimol/B3: 4.59635
  Sterimol/B4: 9.44014  Sterimol/L: 16.616 
 
 Surface and Volume Properties
  Accessible surface: 621.732  Positive charged surface: 418.712  Negative charged surface: 203.02  Volume: 354
  Hydrophobic surface: 534.744  Hydrophilic surface: 86.988
 
 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.