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MMsINC code: MMs03104094

Type: Ionized
Formula: C₅H₉O₈P-2

SMILES:

P(OC1OC(CO)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/p-2/t2-,3-,4-,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.75547 kcal/mol

Physical Properties
Molecular Weight: 228.093 g/mol	logS: 1.11679	SlogP: -4.7995	Reactive groups: 0

Topological Properties
Globularity: 0.169835	Sterimol/B1: 2.48418	Sterimol/B2: 3.15785	Sterimol/B3: 3.73634
Sterimol/B4: 4.74541	Sterimol/L: 10.2945

Surface and Volume Properties
Accessible surface: 352.013	Positive charged surface: 166.475	Negative charged surface: 185.538	Volume: 157.75
Hydrophobic surface: 104.548	Hydrophilic surface: 247.465

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

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Parent related molecule:

MMs03104093
PUBCHEM-ZINC04228289