MMsINC Database Search


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MMsINC code: MMs02341711

Type: Neutral
Formula: C₁₁H₁₆O₆

SMILES:

O1C2C3OC4OC(C3OC2OC1(C)C)COC4

InChI:

InChI=1/C11H16O6/c1-11(2)16-9-8-7(15-10(9)17-11)5-3-12-4-6(13-5)14-8/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-,9+,10+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.639 kcal/mol

Physical Properties
Molecular Weight: 244.243 g/mol	logS: -1.51358	SlogP: 0.0031	Reactive groups: 0

Topological Properties
Globularity: 0.126933	Sterimol/B1: 2.30366	Sterimol/B2: 3.79309	Sterimol/B3: 3.85007
Sterimol/B4: 4.92113	Sterimol/L: 12.4145

Surface and Volume Properties
Accessible surface: 418.945	Positive charged surface: 315.207	Negative charged surface: 103.738	Volume: 212.5
Hydrophobic surface: 291.451	Hydrophilic surface: 127.494

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 6

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.