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MMsINC code: MMs02812972

Type: Ionized
Formula: C₄H₇O₇P-2

SMILES:

P(OCC(=O)C(O)CO)(=O)([O-])[O-]

InChI:

InChI=1/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3,5-6H,1-2H2,(H2,8,9,10)/p-2/t3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.43782 kcal/mol

Physical Properties
Molecular Weight: 198.067 g/mol	logS: 0.75511	SlogP: -4.3162	Reactive groups: 1

Topological Properties
Globularity: 0.0832725	Sterimol/B1: 2.33123	Sterimol/B2: 2.5796	Sterimol/B3: 3.63093
Sterimol/B4: 4.71474	Sterimol/L: 11.5684

Surface and Volume Properties
Accessible surface: 342.707	Positive charged surface: 144.699	Negative charged surface: 198.007	Volume: 140.125
Hydrophobic surface: 83.9231	Hydrophilic surface: 258.7839

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 3	Basic groups: 0
Chiral centers: 1

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:

MMs02812971
PUBCHEM-ZINC01529645