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MMsINC code: MMs03090277

Type: Neutral
Formula: C₅H₁₁O₈P

SMILES:

P(OCC1(OCC(O)C1O)O)(O)(O)=O

InChI:

InChI=1/C5H11O8P/c6-3-1-12-5(8,4(3)7)2-13-14(9,10)11/h3-4,6-8H,1-2H2,(H2,9,10,11)/t3-,4+,5+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-18.1684 kcal/mol

Physical Properties
Molecular Weight: 230.109 g/mol	logS: 1.0846	SlogP: -3.5339	Reactive groups: 0

Topological Properties
Globularity: 0.11698	Sterimol/B1: 2.11387	Sterimol/B2: 3.50615	Sterimol/B3: 3.89117
Sterimol/B4: 5.3685	Sterimol/L: 12.5339

Surface and Volume Properties
Accessible surface: 394.638	Positive charged surface: 257.256	Negative charged surface: 137.382	Volume: 167
Hydrophobic surface: 108.243	Hydrophilic surface: 286.395

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs03090278
PUBCHEM-ZINC04097125