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MMsINC code: MMs02813666

Type: Ionized
Formula: C₄H₇O₇P-2

SMILES:

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

InChI:

InChI=1/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/p-2/t3-,4+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-16.7811 kcal/mol

Physical Properties
Molecular Weight: 198.067 g/mol	logS: 1.05391	SlogP: -4.3178	Reactive groups: 1

Topological Properties
Globularity: 0.0970479	Sterimol/B1: 2.46646	Sterimol/B2: 2.80112	Sterimol/B3: 3.20835
Sterimol/B4: 4.3533	Sterimol/L: 11.3712

Surface and Volume Properties
Accessible surface: 328.635	Positive charged surface: 147.053	Negative charged surface: 181.583	Volume: 137.375
Hydrophobic surface: 85.2405	Hydrophilic surface: 243.3945

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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:

MMs02813665
PUBCHEM-ZINC01532603