MMsINC Database Search


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

MMsINC code: MMs02390602

Type: Neutral
Formula: C₁₂H₂₄O₁₁

SMILES:

O1C(CO)C(O)C(O)C(O)C1OC(C(O)C(O)CO)C(O)CO

InChI:

InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5-,6+,7-,8+,9+,10+,11+,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.695 kcal/mol

Physical Properties
Molecular Weight: 344.313 g/mol	logS: 1.91747	SlogP: -5.7612	Reactive groups: 0

Topological Properties
Globularity: 0.129511	Sterimol/B1: 3.42255	Sterimol/B2: 3.6205	Sterimol/B3: 5.28841
Sterimol/B4: 5.34042	Sterimol/L: 13.4406

Surface and Volume Properties
Accessible surface: 500.816	Positive charged surface: 387.889	Negative charged surface: 112.927	Volume: 285.125
Hydrophobic surface: 197.475	Hydrophilic surface: 303.341

Pharmacophoric Properties
Hydrogen bond donors: 9	Hydrogen bond acceptors: 11	Acid groups: 0	Basic groups: 0
Chiral centers: 9

Drug- and Lead-like Properties
Lipinski's drug-like rule: 0	Violations of Lipinski's rule: 2	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.