MMsINC Database Search


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MMsINC code: MMs02435282

Type: Neutral
Formula: C₇H₁₄O₅

SMILES:

O1CC(O)C(O)C(OC)C1OC

InChI:

InChI=1/C7H14O5/c1-10-6-5(9)4(8)3-12-7(6)11-2/h4-9H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5948 kcal/mol

Physical Properties
Molecular Weight: 178.184 g/mol	logS: 0.35705	SlogP: -1.2741	Reactive groups: 0

Topological Properties
Globularity: 0.246429	Sterimol/B1: 2.14876	Sterimol/B2: 2.96107	Sterimol/B3: 3.88971
Sterimol/B4: 6.49257	Sterimol/L: 10.2296

Surface and Volume Properties
Accessible surface: 367.01	Positive charged surface: 331.587	Negative charged surface: 35.423	Volume: 164.125
Hydrophobic surface: 271.511	Hydrophilic surface: 95.499

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.