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MMsINC code: MMs03127956

Type: Ionized
Formula: C₅H₉O₈P-2

SMILES:

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

InChI:

InChI=1/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/p-2/t2-,3+,4-,5+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.08725 kcal/mol

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

Topological Properties
Globularity: 0.145466	Sterimol/B1: 2.52622	Sterimol/B2: 2.88521	Sterimol/B3: 3.37421
Sterimol/B4: 4.55041	Sterimol/L: 11.2501

Surface and Volume Properties
Accessible surface: 353.996	Positive charged surface: 180.94	Negative charged surface: 173.056	Volume: 156.375
Hydrophobic surface: 109.165	Hydrophilic surface: 244.831

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:

MMs03127955
PUBCHEM-ZINC04521832