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MMsINC code: MMs03260459

Type: Neutral
Formula: C₆H₁₁O₈P

SMILES:

P1(OC2C(OC(CO)C(O)C2O)O1)(O)=O

InChI:

InChI=1/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.6874 kcal/mol

Physical Properties
Molecular Weight: 242.12 g/mol	logS: 0.76581	SlogP: -3.129	Reactive groups: 0

Topological Properties
Globularity: 0.238478	Sterimol/B1: 3.10696	Sterimol/B2: 3.75693	Sterimol/B3: 3.78907
Sterimol/B4: 5.02916	Sterimol/L: 11.0696

Surface and Volume Properties
Accessible surface: 376.252	Positive charged surface: 227.931	Negative charged surface: 148.321	Volume: 171.125
Hydrophobic surface: 103.08	Hydrophilic surface: 273.172

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 6

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

MMs03260460
PUBCHEM-ZINC05411416