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MMsINC code: MMs03927523

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.7525 kcal/mol

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

Topological Properties
Globularity: 0.202303	Sterimol/B1: 2.14703	Sterimol/B2: 2.78367	Sterimol/B3: 3.57402
Sterimol/B4: 5.26674	Sterimol/L: 10.6968

Surface and Volume Properties
Accessible surface: 350.069	Positive charged surface: 166.973	Negative charged surface: 183.095	Volume: 158.75
Hydrophobic surface: 104.823	Hydrophilic surface: 245.246

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:

MMs03927522
SIAL-ZINC05274119