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IBS-ZINC02260254

 MMsINC code: MMs01817437
Type: Neutral
Formula: C10H17O4P3
SMILES:   P(CC[PH](O)=O)(CC[PH](O)=O)c1ccccc1
InChI:   InChI=1/C10H17O4P3/c11-16(12)8-6-15(7-9-17(13)14)10-4-2-1-3-5-10/h1-5,16-17H,6-9H2,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=3.63136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.164 g/mol  logS: -1.14046  SlogP: -0.4126  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0903432  Sterimol/B1: 3.05917  Sterimol/B2: 3.58264  Sterimol/B3: 5.37713
  Sterimol/B4: 6.40912  Sterimol/L: 12.9629 
 
 Surface and Volume Properties
  Accessible surface: 512.157  Positive charged surface: 240.211  Negative charged surface: 271.946  Volume: 255.25
  Hydrophobic surface: 307.468  Hydrophilic surface: 204.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.