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MMsINC code: MMs03416954

Type: Ionized
Formula: C₅H₉O₇P-2

SMILES:

P(OCC1OCC(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/p-2/t3-,4-,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.04458 kcal/mol

Physical Properties
Molecular Weight: 212.094 g/mol	logS: 0.79498	SlogP: -4.1179	Reactive groups: 0

Topological Properties
Globularity: 0.213143	Sterimol/B1: 2.48023	Sterimol/B2: 3.66629	Sterimol/B3: 3.94524
Sterimol/B4: 4.1324	Sterimol/L: 11.0489

Surface and Volume Properties
Accessible surface: 335.491	Positive charged surface: 176.436	Negative charged surface: 159.055	Volume: 152.5
Hydrophobic surface: 135.555	Hydrophilic surface: 199.936

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 3	Basic groups: 0
Chiral centers: 3

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:

MMs03416953
PUBCHEM-ZINC05851421