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IBS-ZINC02348902

 MMsINC code: MMs01839718
Type: Neutral
Formula: C19H25FNO3P
SMILES:   P(OCCCC)(=O)(C(O)c1ccccc1F)c1ccc(N(C)C)cc1
InChI:   InChI=1/C19H25FNO3P/c1-4-5-14-24-25(23,16-12-10-15(11-13-16)21(2)3)19(22)17-8-6-7-9-18(17)20/h6-13,19,22H,4-5,14H2,1-3H3/t19-,25-/m1/s1

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Potential Energy
Epot(MMFF94)=107.218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.385 g/mol  logS: -3.89336  SlogP: 3.3282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784035  Sterimol/B1: 2.16265  Sterimol/B2: 3.57379  Sterimol/B3: 4.36624
  Sterimol/B4: 8.72845  Sterimol/L: 16.629 
 
 Surface and Volume Properties
  Accessible surface: 625.602  Positive charged surface: 436.184  Negative charged surface: 189.418  Volume: 350.75
  Hydrophobic surface: 546.521  Hydrophilic surface: 79.081
 
 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.