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IBS-ZINC00523959

 MMsINC code: MMs01745933
Type: Neutral
Formula: C16H20NO3P
SMILES:   P(OC)(=O)(C(O)c1ccccc1)c1ccc(N(C)C)cc1
InChI:   InChI=1/C16H20NO3P/c1-17(2)14-9-11-15(12-10-14)21(19,20-3)16(18)13-7-5-4-6-8-13/h4-12,16,18H,1-3H3/t16-,21-/m0/s1

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Potential Energy
Epot(MMFF94)=98.5145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.314 g/mol  logS: -2.55418  SlogP: 2.0188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702347  Sterimol/B1: 2.4545  Sterimol/B2: 3.69975  Sterimol/B3: 3.90327
  Sterimol/B4: 6.44722  Sterimol/L: 16.8085 
 
 Surface and Volume Properties
  Accessible surface: 552.807  Positive charged surface: 387.487  Negative charged surface: 165.321  Volume: 297.75
  Hydrophobic surface: 501.973  Hydrophilic surface: 50.834
 
 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.