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MMsINC code: MMs02382562

Type: Ionized
Formula: C₆H₁₁O₉P-2

SMILES:

P(OCC1(OCC(O)C(O)C1O)O)(=O)([O-])[O-]

InChI:

InChI=1/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(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)=13.7413 kcal/mol

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

Topological Properties
Globularity: 0.189891	Sterimol/B1: 2.42183	Sterimol/B2: 2.43843	Sterimol/B3: 4.63791
Sterimol/B4: 5.32927	Sterimol/L: 11.6956

Surface and Volume Properties
Accessible surface: 380.182	Positive charged surface: 195.298	Negative charged surface: 184.885	Volume: 181.125
Hydrophobic surface: 128.989	Hydrophilic surface: 251.193

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:

MMs02382561
NCID-ZINC04096594