MMsINC Database Search


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MMsINC code: MMs03090434

Type: Neutral
Formula: C₇H₁₄O₇

SMILES:

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

InChI:

InChI=1/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,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)=76.7204 kcal/mol

Physical Properties
Molecular Weight: 210.182 g/mol	logS: 1.27726	SlogP: -3.8589	Reactive groups: 0

Topological Properties
Globularity: 0.204548	Sterimol/B1: 2.88394	Sterimol/B2: 3.30373	Sterimol/B3: 3.87196
Sterimol/B4: 6.46873	Sterimol/L: 9.76605

Surface and Volume Properties
Accessible surface: 379.51	Positive charged surface: 289.704	Negative charged surface: 89.8059	Volume: 172.375
Hydrophobic surface: 129.204	Hydrophilic surface: 250.306

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

MMs03090435
PUBCHEM-ZINC04097479