MMsINC Database Search


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MMsINC code: MMs03206906

Type: Neutral
Formula: C₇H₁₆O₇

SMILES:

O(CC(O)C(O)C(O)C(O)CO)CO

InChI:

InChI=1/C7H16O7/c8-1-4(10)6(12)7(13)5(11)2-14-3-9/h4-13H,1-3H2/t4-,5-,6+,7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.271 kcal/mol

Physical Properties
Molecular Weight: 212.198 g/mol	logS: 1.77656	SlogP: -3.6113	Reactive groups: 0

Topological Properties
Globularity: 0.0671539	Sterimol/B1: 2.72975	Sterimol/B2: 3.34654	Sterimol/B3: 3.57563
Sterimol/B4: 3.67932	Sterimol/L: 14.4293

Surface and Volume Properties
Accessible surface: 412.552	Positive charged surface: 306.75	Negative charged surface: 105.802	Volume: 187.25
Hydrophobic surface: 149.435	Hydrophilic surface: 263.117

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.