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MMsINC code: MMs03416497

Type: Neutral
Formula: C₅H₁₁O₈P

SMILES:

P(OCC1OCC(O)C1(O)O)(O)(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-18.7048 kcal/mol

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

Topological Properties
Globularity: 0.0917378	Sterimol/B1: 2.33382	Sterimol/B2: 2.90736	Sterimol/B3: 3.75135
Sterimol/B4: 5.11857	Sterimol/L: 12.6134

Surface and Volume Properties
Accessible surface: 396.244	Positive charged surface: 257.019	Negative charged surface: 139.225	Volume: 168.25
Hydrophobic surface: 111.419	Hydrophilic surface: 284.825

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03416498
PUBCHEM-ZINC05850561