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MMsINC code: MMs03079044

Type: Ionized
Formula: C₆H₁₁O₉P-2

SMILES:

P(OCC1(OC(CO)C(O)C1O)O)(=O)([O-])[O-]

InChI:

InChI=1/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4-,5-,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6007 kcal/mol

Physical Properties
Molecular Weight: 258.119 g/mol	logS: 1.1441	SlogP: -5.437	Reactive groups: 0

Topological Properties
Globularity: 0.158555	Sterimol/B1: 2.84981	Sterimol/B2: 3.13319	Sterimol/B3: 3.31382
Sterimol/B4: 5.83082	Sterimol/L: 11.213

Surface and Volume Properties
Accessible surface: 392.479	Positive charged surface: 206.427	Negative charged surface: 186.052	Volume: 183.5
Hydrophobic surface: 126.55	Hydrophilic surface: 265.929

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 3	Basic groups: 0
Chiral centers: 4

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:

MMs03079043
PUBCHEM-ZINC03869911