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IBS-ZINC00553072

 MMsINC code: MMs01754705
Type: Neutral
Formula: C9H12NO4P
SMILES:   [PH](O)(=O)CNC(OCc1ccccc1)=O
InChI:   InChI=1/C9H12NO4P/c11-9(10-7-15(12)13)14-6-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,10,11)(H,12,13)

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Potential Energy
Epot(MMFF94)=6.22323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.172 g/mol  logS: -1.34576  SlogP: 0.5335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518637  Sterimol/B1: 2.7583  Sterimol/B2: 3.55815  Sterimol/B3: 3.73386
  Sterimol/B4: 4.03666  Sterimol/L: 15.2103 
 
 Surface and Volume Properties
  Accessible surface: 451.65  Positive charged surface: 247.971  Negative charged surface: 203.68  Volume: 199.875
  Hydrophobic surface: 288.338  Hydrophilic surface: 163.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.