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MMsINC code: MMs02813707

Type: Ionized
Formula: C₅H₉O₇P-2

SMILES:

P(OCC1OC(O)CC1O)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(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)=-20.9583 kcal/mol

Physical Properties
Molecular Weight: 212.094 g/mol	logS: 0.71248	SlogP: -3.7703	Reactive groups: 0

Topological Properties
Globularity: 0.146134	Sterimol/B1: 2.68274	Sterimol/B2: 2.70425	Sterimol/B3: 3.5172
Sterimol/B4: 4.90977	Sterimol/L: 11.6134

Surface and Volume Properties
Accessible surface: 341.96	Positive charged surface: 176.098	Negative charged surface: 165.862	Volume: 150.375
Hydrophobic surface: 131.328	Hydrophilic surface: 210.632

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:

MMs02813706
PUBCHEM-ZINC01532719