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IBS-ZINC02399297

 MMsINC code: MMs01851272
Type: Neutral
Formula: C19H26NO3P
SMILES:   P(OCCCC)(=O)(C(O)c1ccccc1)c1ccc(N(C)C)cc1
InChI:   InChI=1/C19H26NO3P/c1-4-5-15-23-24(22,19(21)16-9-7-6-8-10-16)18-13-11-17(12-14-18)20(2)3/h6-14,19,21H,4-5,15H2,1-3H3/t19-,24+/m0/s1

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Potential Energy
Epot(MMFF94)=94.7265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.395 g/mol  logS: -3.59838  SlogP: 3.1891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168072  Sterimol/B1: 2.47252  Sterimol/B2: 2.71777  Sterimol/B3: 6.21351
  Sterimol/B4: 7.78344  Sterimol/L: 17.0594 
 
 Surface and Volume Properties
  Accessible surface: 612.933  Positive charged surface: 432.094  Negative charged surface: 180.839  Volume: 351.375
  Hydrophobic surface: 527.965  Hydrophilic surface: 84.968
 
 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.