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NCID-ZINC01621184

 MMsINC code: MMs02269125
Type: Neutral
Formula: C11H15O6P
SMILES:   P(OC(C(O)(C(=O)C)C)c1ccccc1)(O)(O)=O
InChI:   InChI=1/C11H15O6P/c1-8(12)11(2,13)10(17-18(14,15)16)9-6-4-3-5-7-9/h3-7,10,13H,1-2H3,(H2,14,15,16)/t10-,11+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.487274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.209 g/mol  logS: -1.40686  SlogP: 0.2023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242488  Sterimol/B1: 2.23933  Sterimol/B2: 3.51441  Sterimol/B3: 3.87062
  Sterimol/B4: 7.64371  Sterimol/L: 12.4733 
 
 Surface and Volume Properties
  Accessible surface: 452.455  Positive charged surface: 252.422  Negative charged surface: 200.032  Volume: 234.25
  Hydrophobic surface: 268.125  Hydrophilic surface: 184.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02269126
NCID-ZINC01621184