MMsINC Database Search


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MMsINC code: MMs03504343

Type: Neutral
Formula: C₁₀H₂₀O₅

SMILES:

O1C(C)C(OC)C(OC)(C)C(OC)C1O

InChI:

InChI=1/C10H20O5/c1-6-7(12-3)10(2,14-5)8(13-4)9(11)15-6/h6-9,11H,1-5H3/t6-,7+,8-,9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0722 kcal/mol

Physical Properties
Molecular Weight: 220.265 g/mol	logS: -0.64255	SlogP: 0.1586	Reactive groups: 0

Topological Properties
Globularity: 0.583232	Sterimol/B1: 3.41675	Sterimol/B2: 3.90081	Sterimol/B3: 5.72304
Sterimol/B4: 5.82863	Sterimol/L: 9.23978

Surface and Volume Properties
Accessible surface: 416.501	Positive charged surface: 362.303	Negative charged surface: 54.1983	Volume: 216.875
Hydrophobic surface: 326.249	Hydrophilic surface: 90.252

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.