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MMsINC code: MMs02813311

Type: Ionized
Formula: C₆H₁₁O₉P-2

SMILES:

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

InChI:

InChI=1/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/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)=40.1878 kcal/mol

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

Topological Properties
Globularity: 0.161397	Sterimol/B1: 2.53358	Sterimol/B2: 3.85528	Sterimol/B3: 4.28545
Sterimol/B4: 4.67056	Sterimol/L: 11.4659

Surface and Volume Properties
Accessible surface: 399.622	Positive charged surface: 205.706	Negative charged surface: 193.916	Volume: 184.125
Hydrophobic surface: 117.003	Hydrophilic surface: 282.619

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:

MMs02813310
PUBCHEM-ZINC01530388