MMsINC Database Search


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MMsINC code: MMs02491309

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9091 kcal/mol

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

Topological Properties
Globularity: 0.283913	Sterimol/B1: 1.97466	Sterimol/B2: 2.52815	Sterimol/B3: 4.21961
Sterimol/B4: 7.74251	Sterimol/L: 9.90481

Surface and Volume Properties
Accessible surface: 371.508	Positive charged surface: 310.256	Negative charged surface: 61.2522	Volume: 168.375
Hydrophobic surface: 184.855	Hydrophilic surface: 186.653

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.