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IBS-ZINC02348900

 MMsINC code: MMs01839717
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)=91.6007 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: 0.173154  Sterimol/B1: 2.5048  Sterimol/B2: 2.78726  Sterimol/B3: 5.99948
  Sterimol/B4: 7.62446  Sterimol/L: 17.0878 
 
 Surface and Volume Properties
  Accessible surface: 618.762  Positive charged surface: 433.157  Negative charged surface: 185.606  Volume: 352.875
  Hydrophobic surface: 534.454  Hydrophilic surface: 84.308
 
 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.