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NCID-ZINC01673629

 MMsINC code: MMs02309472
Type: Ionized
Formula: C6H13O4P-2
SMILES:   P(OCC(CC)CC)(=O)([O-])[O-]
InChI:   InChI=1/C6H15O4P/c1-3-6(4-2)5-10-11(7,8)9/h6H,3-5H2,1-2H3,(H2,7,8,9)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.07196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.14 g/mol  logS: -1.07981  SlogP: -0.8023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133255  Sterimol/B1: 2.54931  Sterimol/B2: 2.65613  Sterimol/B3: 3.39573
  Sterimol/B4: 6.5161  Sterimol/L: 10.3582 
 
 Surface and Volume Properties
  Accessible surface: 370.788  Positive charged surface: 200.262  Negative charged surface: 170.526  Volume: 161.375
  Hydrophobic surface: 197.688  Hydrophilic surface: 173.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 3  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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MMs02309471
NCID-ZINC01673629