MMsINC Database Search


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MMsINC code: MMs02384564

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

O1CC(O)C(O)C(O)C1(OC)CO

InChI:

InChI=1/C7H14O6/c1-12-7(3-8)6(11)5(10)4(9)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8667 kcal/mol

Physical Properties
Molecular Weight: 194.183 g/mol	logS: 0.72954	SlogP: -2.5657	Reactive groups: 0

Topological Properties
Globularity: 0.284317	Sterimol/B1: 2.49411	Sterimol/B2: 3.06532	Sterimol/B3: 4.59786
Sterimol/B4: 5.25361	Sterimol/L: 9.90191

Surface and Volume Properties
Accessible surface: 361.342	Positive charged surface: 303.256	Negative charged surface: 58.0865	Volume: 168.125
Hydrophobic surface: 186.415	Hydrophilic surface: 174.927

Pharmacophoric Properties
Hydrogen bond donors: 4	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.