MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03127951

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)=-17.5176 kcal/mol

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

Topological Properties
Globularity: 0.0984176	Sterimol/B1: 3.25842	Sterimol/B2: 3.32562	Sterimol/B3: 3.55722
Sterimol/B4: 4.79756	Sterimol/L: 12.0019

Surface and Volume Properties
Accessible surface: 399.365	Positive charged surface: 261.89	Negative charged surface: 137.475	Volume: 167.875
Hydrophobic surface: 101.648	Hydrophilic surface: 297.717

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

search links for this molecule:

Ions/Tautomers related molecules

MMs03127952
PUBCHEM-ZINC04521830