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MMsINC code: MMs03201197

Type: Ionized
Formula: C₅H₇O₇P-2

SMILES:

[PH](O)(=O)CC(O)(CC(=O)[O-])C(=O)[O-]

InChI:

InChI=1/C5H9O7P/c6-3(7)1-5(10,4(8)9)2-13(11)12/h10,13H,1-2H2,(H,6,7)(H,8,9)(H,11,12)/p-2/t5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.71679 kcal/mol

Physical Properties
Molecular Weight: 210.078 g/mol	logS: 0.18507	SlogP: -4.9958	Reactive groups: 0

Topological Properties
Globularity: 0.179451	Sterimol/B1: 2.4674	Sterimol/B2: 3.17603	Sterimol/B3: 3.87731
Sterimol/B4: 4.68038	Sterimol/L: 11.482

Surface and Volume Properties
Accessible surface: 343.565	Positive charged surface: 135.022	Negative charged surface: 208.543	Volume: 149.125
Hydrophobic surface: 75.8631	Hydrophilic surface: 267.7019

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 4	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:

MMs03201196
PUBCHEM-ZINC05112775