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MMsINC code: MMs03504470

Type: Neutral
Formula: C₅H₁₁O₇P

SMILES:

P(OC1OC(C)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C5H11O7P/c1-2-3(6)4(7)5(11-2)12-13(8,9)10/h2-7H,1H3,(H2,8,9,10)/t2-,3-,4-,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-28.27 kcal/mol

Physical Properties
Molecular Weight: 214.11 g/mol	logS: 0.73008	SlogP: -2.5079	Reactive groups: 0

Topological Properties
Globularity: 0.0936144	Sterimol/B1: 2.4394	Sterimol/B2: 2.9958	Sterimol/B3: 3.05233
Sterimol/B4: 5.84322	Sterimol/L: 11.5218

Surface and Volume Properties
Accessible surface: 383.448	Positive charged surface: 235.05	Negative charged surface: 148.398	Volume: 160.875
Hydrophobic surface: 117.093	Hydrophilic surface: 266.355

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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

MMs03504471
PUBCHEM-ZINC06031842