MMsINC Database Search


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MMsINC code: MMs02491311

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

O1C(CO)C(OC)C(O)C(O)C1O

InChI:

InChI=1/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,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)=68.82 kcal/mol

Physical Properties
Molecular Weight: 194.183 g/mol	logS: 0.90477	SlogP: -2.5673	Reactive groups: 0

Topological Properties
Globularity: 0.191148	Sterimol/B1: 2.27541	Sterimol/B2: 3.26737	Sterimol/B3: 3.26798
Sterimol/B4: 7.07306	Sterimol/L: 9.70815

Surface and Volume Properties
Accessible surface: 372.706	Positive charged surface: 304.614	Negative charged surface: 68.0923	Volume: 167.375
Hydrophobic surface: 183.861	Hydrophilic surface: 188.845

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.