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MMsINC code: MMs03850452

Type: Neutral
Formula: C₆H₁₃O₈P

SMILES:

P(OCC1OC(CO)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C6H13O8P/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-10.294 kcal/mol

Physical Properties
Molecular Weight: 244.136 g/mol	logS: 1.14056	SlogP: -3.493	Reactive groups: 0

Topological Properties
Globularity: 0.0987111	Sterimol/B1: 2.94393	Sterimol/B2: 3.28618	Sterimol/B3: 3.46784
Sterimol/B4: 5.93008	Sterimol/L: 12.2886

Surface and Volume Properties
Accessible surface: 426.765	Positive charged surface: 286.617	Negative charged surface: 140.148	Volume: 185.375
Hydrophobic surface: 130.463	Hydrophilic surface: 296.302

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs03850453
PUBCHEM-ZINC06753390