MMsINC Database Search


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MMsINC code: MMs02491498

Type: Neutral
Formula: C₇H₁₆O₇

SMILES:

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

InChI:

InChI=1/C7H16O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-13H,2H2,1H3/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)=78.8942 kcal/mol

Physical Properties
Molecular Weight: 212.198 g/mol	logS: 1.60133	SlogP: -3.6129	Reactive groups: 0

Topological Properties
Globularity: 0.0771453	Sterimol/B1: 3.15904	Sterimol/B2: 3.16345	Sterimol/B3: 3.30756
Sterimol/B4: 3.68294	Sterimol/L: 14.2116

Surface and Volume Properties
Accessible surface: 408.51	Positive charged surface: 307.54	Negative charged surface: 100.969	Volume: 185.5
Hydrophobic surface: 177.14	Hydrophilic surface: 231.37

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.