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MMsINC code: MMs03078958

Type: Neutral
Formula: C₅H₁₁O₇P

SMILES:

P(OC1OC(CO)C(O)C1)(O)(O)=O

InChI:

InChI=1/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-45.0027 kcal/mol

Physical Properties
Molecular Weight: 214.11 g/mol	logS: 0.85552	SlogP: -2.5063	Reactive groups: 0

Topological Properties
Globularity: 0.100225	Sterimol/B1: 2.65316	Sterimol/B2: 2.96068	Sterimol/B3: 3.21541
Sterimol/B4: 6.01903	Sterimol/L: 11.4295

Surface and Volume Properties
Accessible surface: 390.426	Positive charged surface: 252.169	Negative charged surface: 138.257	Volume: 160.875
Hydrophobic surface: 127.018	Hydrophilic surface: 263.408

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

MMs03078959
PUBCHEM-ZINC03869830