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NCID-ZINC01643468

 MMsINC code: MMs02284929
Type: Neutral
Formula: C21H20NO5P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)CNC(OCc1ccccc1)=O
InChI:   InChI=1/C21H20NO5P/c23-21(25-16-18-10-4-1-5-11-18)22-17-28(24,26-19-12-6-2-7-13-19)27-20-14-8-3-9-15-20/h1-15H,16-17H2,(H,22,23)

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Potential Energy
Epot(MMFF94)=73.2237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.367 g/mol  logS: -4.73833  SlogP: 4.4176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706899  Sterimol/B1: 2.81846  Sterimol/B2: 4.87564  Sterimol/B3: 5.90307
  Sterimol/B4: 7.20208  Sterimol/L: 17.475 
 
 Surface and Volume Properties
  Accessible surface: 688.721  Positive charged surface: 395.714  Negative charged surface: 293.007  Volume: 367.5
  Hydrophobic surface: 607.047  Hydrophilic surface: 81.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.