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PUBCHEM-ZINC00530165

 MMsINC code: MMs02700216
Type: Neutral
Formula: C16H19FNO3P
SMILES:   P(OC)(=O)(C(O)c1ccccc1F)c1ccc(N(C)C)cc1
InChI:   InChI=1/C16H19FNO3P/c1-18(2)12-8-10-13(11-9-12)22(20,21-3)16(19)14-6-4-5-7-15(14)17/h4-11,16,19H,1-3H3/t16-,22+/m1/s1

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Potential Energy
Epot(MMFF94)=96.1166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.304 g/mol  logS: -2.84916  SlogP: 2.1579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0883273  Sterimol/B1: 2.63402  Sterimol/B2: 3.72203  Sterimol/B3: 4.6261
  Sterimol/B4: 5.82334  Sterimol/L: 16.8509 
 
 Surface and Volume Properties
  Accessible surface: 552.541  Positive charged surface: 380.222  Negative charged surface: 172.32  Volume: 300.5
  Hydrophobic surface: 504.183  Hydrophilic surface: 48.358
 
 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.