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MMsINC code: MMs03686942

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.7205 kcal/mol

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

Topological Properties
Globularity: 0.171245	Sterimol/B1: 2.60921	Sterimol/B2: 3.08385	Sterimol/B3: 3.71734
Sterimol/B4: 3.95994	Sterimol/L: 10.6788

Surface and Volume Properties
Accessible surface: 344.449	Positive charged surface: 181.322	Negative charged surface: 163.127	Volume: 146.5
Hydrophobic surface: 161.518	Hydrophilic surface: 182.931

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:

MMs03686941
PUBCHEM-ZINC06361441