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MMsINC code: MMs03686950

Type: Ionized
Formula: C₅H₉O₆P-2

SMILES:

P(OCC1OCCC1O)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/p-2/t4-,5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.7203 kcal/mol

Physical Properties
Molecular Weight: 196.095 g/mol	logS: 0.39067	SlogP: -3.0887	Reactive groups: 0

Topological Properties
Globularity: 0.171174	Sterimol/B1: 2.60904	Sterimol/B2: 3.08505	Sterimol/B3: 3.71832
Sterimol/B4: 3.96013	Sterimol/L: 10.6817

Surface and Volume Properties
Accessible surface: 343.077	Positive charged surface: 178.115	Negative charged surface: 164.963	Volume: 147.125
Hydrophobic surface: 159.871	Hydrophilic surface: 183.206

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 3	Basic groups: 0
Chiral centers: 2

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:

MMs03686949
PUBCHEM-ZINC06361447