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MMsINC code: MMs03403824

Type: Ionized
Formula: C₆H₉O₉P-2

SMILES:

P(OCC1OC(O)C(O)C(O)C1=O)(=O)([O-])[O-]

InChI:

InChI=1/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2,4-6,8-10H,1H2,(H2,11,12,13)/p-2/t2-,4-,5+,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.6594 kcal/mol

Physical Properties
Molecular Weight: 256.103 g/mol	logS: 0.78544	SlogP: -5.2304	Reactive groups: 0

Topological Properties
Globularity: 0.18256	Sterimol/B1: 2.44533	Sterimol/B2: 4.04227	Sterimol/B3: 4.19668
Sterimol/B4: 4.34185	Sterimol/L: 11.3007

Surface and Volume Properties
Accessible surface: 396.296	Positive charged surface: 186.372	Negative charged surface: 209.924	Volume: 177.625
Hydrophobic surface: 90.4156	Hydrophilic surface: 305.8804

Pharmacophoric Properties
Hydrogen bond donors: 3	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:

MMs03403823
PUBCHEM-ZINC05828285