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MMsINC code: MMs00016591

Type: Neutral
Formula: C₅H₁₁O₈P

SMILES:

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

InChI:

InChI=1/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.2727 kcal/mol

Physical Properties
Molecular Weight: 230.109 g/mol	logS: 1.25983	SlogP: -3.5355	Reactive groups: 0

Topological Properties
Globularity: 0.0778248	Sterimol/B1: 2.93613	Sterimol/B2: 3.29343	Sterimol/B3: 3.60705
Sterimol/B4: 4.89174	Sterimol/L: 12.19

Surface and Volume Properties
Accessible surface: 399.769	Positive charged surface: 251.802	Negative charged surface: 147.966	Volume: 167.25
Hydrophobic surface: 89.1545	Hydrophilic surface: 310.6145

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

MMs00016592
ACROSORGANICS-ZINC04096190