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IBS-ZINC02310128

 MMsINC code: MMs01829256
Type: Neutral
Formula: C7H15O4P
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)

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Potential Energy
Epot(MMFF94)=-7.83985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.167 g/mol  logS: 0.0664  SlogP: 0.4614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055158  Sterimol/B1: 3.15808  Sterimol/B2: 3.27836  Sterimol/B3: 3.34767
  Sterimol/B4: 3.48402  Sterimol/L: 14.854 
 
 Surface and Volume Properties
  Accessible surface: 407.956  Positive charged surface: 272.343  Negative charged surface: 135.613  Volume: 181.125
  Hydrophobic surface: 217.919  Hydrophilic surface: 190.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs01829257
IBS-ZINC02310128