MMsINC Database Search


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MMsINC code: MMs02813686

Type: Ionized
Formula: C₅H₉O₈P-2

SMILES:

P(OC1OC(CO)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/p-2/t2-,3-,4-,5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-1.57086 kcal/mol

Physical Properties
Molecular Weight: 228.093 g/mol	logS: 1.11679	SlogP: -4.7995	Reactive groups: 0

Topological Properties
Globularity: 0.188617	Sterimol/B1: 3.11573	Sterimol/B2: 3.51207	Sterimol/B3: 3.62388
Sterimol/B4: 3.71847	Sterimol/L: 10.7766

Surface and Volume Properties
Accessible surface: 349	Positive charged surface: 163.936	Negative charged surface: 185.064	Volume: 154.75
Hydrophobic surface: 108.374	Hydrophilic surface: 240.626

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 3	Basic groups: 0
Chiral centers: 4

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:

MMs02813685
PUBCHEM-ZINC01532661