MMsINC Database Search


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MMsINC code: MMs03090028

Type: Ionized
Formula: C₆H₁₁O₉P-2

SMILES:

P(OCC1OC(O)(CO)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4-,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0372 kcal/mol

Physical Properties
Molecular Weight: 258.119 g/mol	logS: 1.1441	SlogP: -5.437	Reactive groups: 0

Topological Properties
Globularity: 0.134422	Sterimol/B1: 3.1661	Sterimol/B2: 3.26637	Sterimol/B3: 4.33016
Sterimol/B4: 4.89591	Sterimol/L: 11.7205

Surface and Volume Properties
Accessible surface: 409.72	Positive charged surface: 210.251	Negative charged surface: 199.469	Volume: 184.625
Hydrophobic surface: 113.56	Hydrophilic surface: 296.16

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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: 0

search links for this molecule:

Parent related molecule:

MMs03090027
PUBCHEM-ZINC04096690