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MMsINC code: MMs03104079

Type: Neutral
Formula: C₅H₁₁O₈P

SMILES:

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

InChI:

InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/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)=-18.5673 kcal/mol

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

Topological Properties
Globularity: 0.113078	Sterimol/B1: 3.27162	Sterimol/B2: 3.3056	Sterimol/B3: 3.30707
Sterimol/B4: 5.76579	Sterimol/L: 11.2009

Surface and Volume Properties
Accessible surface: 396.372	Positive charged surface: 252.684	Negative charged surface: 143.689	Volume: 168
Hydrophobic surface: 96.6017	Hydrophilic surface: 299.7703

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

MMs03104080
PUBCHEM-ZINC04228268