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MMsINC code: MMs03850404

Type: Ionized
Formula: C₆H₁₁O₈P-2

SMILES:

P(OCC1OC(CO)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C6H13O8P/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/p-2/t3-,4+,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.65052 kcal/mol

Physical Properties
Molecular Weight: 242.12 g/mol	logS: 0.99752	SlogP: -4.757	Reactive groups: 0

Topological Properties
Globularity: 0.202674	Sterimol/B1: 2.46029	Sterimol/B2: 3.53096	Sterimol/B3: 4.08771
Sterimol/B4: 4.46871	Sterimol/L: 11.5039

Surface and Volume Properties
Accessible surface: 365.721	Positive charged surface: 197.874	Negative charged surface: 167.847	Volume: 175.375
Hydrophobic surface: 141.462	Hydrophilic surface: 224.259

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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: 1

search links for this molecule:

Parent related molecule:

MMs03850403
PUBCHEM-ZINC06753353