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IBS-ZINC00524812

 MMsINC code: MMs01746105
Type: Neutral
Formula: C19H26NO3P
SMILES:   P(OC(C)C)(=O)(C(O)c1ccc(cc1)C)c1ccc(N(C)C)cc1
InChI:   InChI=1/C19H26NO3P/c1-14(2)23-24(22,18-12-10-17(11-13-18)20(4)5)19(21)16-8-6-15(3)7-9-16/h6-14,19,21H,1-5H3/t19-,24+/m0/s1

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Potential Energy
Epot(MMFF94)=102.555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.395 g/mol  logS: -3.68252  SlogP: 3.10582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811029  Sterimol/B1: 3.45703  Sterimol/B2: 3.55965  Sterimol/B3: 3.89303
  Sterimol/B4: 6.67308  Sterimol/L: 17.7043 
 
 Surface and Volume Properties
  Accessible surface: 620.565  Positive charged surface: 426.062  Negative charged surface: 194.502  Volume: 351.875
  Hydrophobic surface: 531.865  Hydrophilic surface: 88.7
 
 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.