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CHEMBLOCK-ZINC04481059

 MMsINC code: MMs00553230
Type: Ionized
Formula: C10H11O5P-2
SMILES:   P(=O)([O-])(C(O)c1ccccc1)CCC(=O)[O-]
InChI:   InChI=1/C10H13O5P/c11-9(12)6-7-16(14,15)10(13)8-4-2-1-3-5-8/h1-5,10,13H,6-7H2,(H,11,12)(H,14,15)/p-2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=46.8205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.167 g/mol  logS: -0.66746  SlogP: -1.5188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769776  Sterimol/B1: 2.49968  Sterimol/B2: 3.61449  Sterimol/B3: 3.78503
  Sterimol/B4: 4.56816  Sterimol/L: 14.6823 
 
 Surface and Volume Properties
  Accessible surface: 433.58  Positive charged surface: 196.871  Negative charged surface: 236.709  Volume: 206.125
  Hydrophobic surface: 249.438  Hydrophilic surface: 184.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  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:


MMs00553229
CHEMBLOCK-ZINC04481059