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CHEMBRIDGE-ZINC04949813

 MMsINC code: MMs00813474
Type: Neutral
Formula: C11H15O3P
SMILES:   P(=O)(CCC)(CC(O)=O)c1ccccc1
InChI:   InChI=1/C11H15O3P/c1-2-8-15(14,9-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=11.6329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.212 g/mol  logS: -1.45094  SlogP: 1.0994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119671  Sterimol/B1: 3.32434  Sterimol/B2: 3.35876  Sterimol/B3: 3.54145
  Sterimol/B4: 6.44087  Sterimol/L: 12.7372 
 
 Surface and Volume Properties
  Accessible surface: 438.097  Positive charged surface: 259.14  Negative charged surface: 178.957  Volume: 217.125
  Hydrophobic surface: 307.03  Hydrophilic surface: 131.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00813475
CHEMBRIDGE-ZINC04949813