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PUBCHEM-ZINC03165247

 MMsINC code: MMs03004082
Type: Ionized
Formula: C9H10O3P-
SMILES:   P(=O)(CC(=O)[O-])(C)c1ccccc1
InChI:   InChI=1/C9H11O3P/c1-13(12,7-9(10)11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)/p-1/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=9.13237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.15 g/mol  logS: -1.18241  SlogP: -1.0155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194002  Sterimol/B1: 2.3762  Sterimol/B2: 2.84222  Sterimol/B3: 4.49642
  Sterimol/B4: 4.85244  Sterimol/L: 11.7174 
 
 Surface and Volume Properties
  Accessible surface: 381.945  Positive charged surface: 182.637  Negative charged surface: 199.308  Volume: 179.25
  Hydrophobic surface: 249.681  Hydrophilic surface: 132.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03004081
PUBCHEM-ZINC03165247