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MMsINC code: MMs03913802

Type: Ionized
Formula: C₅H₉O₈P-2

SMILES:

P(OC1OCC(O)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)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)=22.2275 kcal/mol

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

Topological Properties
Globularity: 0.178228	Sterimol/B1: 2.25472	Sterimol/B2: 3.08044	Sterimol/B3: 3.66928
Sterimol/B4: 4.91888	Sterimol/L: 11.5392

Surface and Volume Properties
Accessible surface: 358.666	Positive charged surface: 176.19	Negative charged surface: 182.476	Volume: 158.875
Hydrophobic surface: 96.2196	Hydrophilic surface: 262.4464

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:

MMs03913801
SIAL-ZINC01529780