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MMsINC code: MMs03470988

Type: Ionized
Formula: C₅H₈O₉P-3

SMILES:

P(OCC(O)C(O)C(O)C(=O)[O-])(=O)([O-])[O-]

InChI:

InChI=1/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/p-3/t2-,3-,4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.4326 kcal/mol

Physical Properties
Molecular Weight: 243.084 g/mol	logS: 1.03271	SlogP: -6.4059	Reactive groups: 0

Topological Properties
Globularity: 0.0669953	Sterimol/B1: 2.97488	Sterimol/B2: 3.25976	Sterimol/B3: 3.41823
Sterimol/B4: 3.7146	Sterimol/L: 13.132

Surface and Volume Properties
Accessible surface: 381.776	Positive charged surface: 148.078	Negative charged surface: 233.698	Volume: 164.125
Hydrophobic surface: 76.791	Hydrophilic surface: 304.985

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 5	Basic groups: 0
Chiral centers: 3

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

search links for this molecule:

Parent related molecule:

MMs03470987
PUBCHEM-ZINC05975491