MMsINC Database Search


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

MMsINC code: MMs03213553

Type: Neutral
Formula: C₆H₁₀O₄

SMILES:

O1CC(O)C(O)C1C1OC1

InChI:

InChI=1/C6H10O4/c7-3-1-10-6(5(3)8)4-2-9-4/h3-8H,1-2H2/t3-,4+,5+,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3135 kcal/mol

Physical Properties
Molecular Weight: 146.142 g/mol	logS: 0.23158	SlogP: -1.4942	Reactive groups: 1

Topological Properties
Globularity: 0.16565	Sterimol/B1: 2.31209	Sterimol/B2: 2.56087	Sterimol/B3: 3.57273
Sterimol/B4: 5.24708	Sterimol/L: 9.94881

Surface and Volume Properties
Accessible surface: 317.86	Positive charged surface: 212.728	Negative charged surface: 105.132	Volume: 133.125
Hydrophobic surface: 188.707	Hydrophilic surface: 129.153

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.