MMsINC Database Search


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MMsINC code: MMs03850420

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

O1C(CO)C(O)C(O)C(O)C1CO

InChI:

InChI=1/C7H14O6/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-12H,1-2H2/t3-,4+,5-,6-,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8569 kcal/mol

Physical Properties
Molecular Weight: 194.183 g/mol	logS: 1.13068	SlogP: -3.1789	Reactive groups: 0

Topological Properties
Globularity: 0.156569	Sterimol/B1: 2.95201	Sterimol/B2: 3.1856	Sterimol/B3: 3.30538
Sterimol/B4: 6.18854	Sterimol/L: 9.60845

Surface and Volume Properties
Accessible surface: 370.849	Positive charged surface: 279.595	Negative charged surface: 91.2544	Volume: 167
Hydrophobic surface: 142.283	Hydrophilic surface: 228.566

Pharmacophoric Properties
Hydrogen bond donors: 5	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

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Ions/Tautomers related molecules: no related molecules available.