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IBS-ZINC02310128

 MMsINC code: MMs01829257
Type: Ionized
Formula: C7H13O4P-2
SMILES:   P(=O)([O-])(CCCC)CCC(=O)[O-]
InChI:   InChI=1/C7H15O4P/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9)(H,10,11)/p-2

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Potential Energy
Epot(MMFF94)=8.29379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.151 g/mol  logS: -0.26557  SlogP: -1.5053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489702  Sterimol/B1: 3.13375  Sterimol/B2: 3.13432  Sterimol/B3: 3.3639
  Sterimol/B4: 3.66151  Sterimol/L: 14.4411 
 
 Surface and Volume Properties
  Accessible surface: 399.916  Positive charged surface: 229.529  Negative charged surface: 170.388  Volume: 173
  Hydrophobic surface: 216.293  Hydrophilic surface: 183.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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Parent related molecule:


MMs01829256
IBS-ZINC02310128