MMsINC Database Search


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

MMsINC code: MMs00008123

Type: Neutral
Formula: C₅H₁₀O₅

SMILES:

O1C(CO)C(O)C(O)C1O

InChI:

InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2431 kcal/mol

Physical Properties
Molecular Weight: 150.13 g/mol	logS: 1.04741	SlogP: -2.5823	Reactive groups: 0

Topological Properties
Globularity: 0.155844	Sterimol/B1: 2.79703	Sterimol/B2: 3.31219	Sterimol/B3: 3.98951
Sterimol/B4: 4.28973	Sterimol/L: 9.92888

Surface and Volume Properties
Accessible surface: 316.959	Positive charged surface: 236.575	Negative charged surface: 80.3841	Volume: 126
Hydrophobic surface: 109.276	Hydrophilic surface: 207.683

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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: no related molecules available.