MMsINC Database Search


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

MMsINC code: MMs02383678

Type: Neutral
Formula: C₈H₁₄O₆

SMILES:

O1COCC(O)C1C1OCOCC1O

InChI:

InChI=1/C8H14O6/c9-5-1-11-3-13-7(5)8-6(10)2-12-4-14-8/h5-10H,1-4H2/t5-,6+,7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4918 kcal/mol

Physical Properties
Molecular Weight: 206.194 g/mol	logS: 0.5353	SlogP: -1.546	Reactive groups: 0

Topological Properties
Globularity: 0.150176	Sterimol/B1: 3.14444	Sterimol/B2: 3.52101	Sterimol/B3: 3.62225
Sterimol/B4: 4.43475	Sterimol/L: 10.543

Surface and Volume Properties
Accessible surface: 377.623	Positive charged surface: 324.221	Negative charged surface: 53.4021	Volume: 177.875
Hydrophobic surface: 223.607	Hydrophilic surface: 154.016

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.