MMsINC Database Search


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MMsINC code: MMs03309257

Type: Neutral
Formula: C₂₀H₃₀O₅

SMILES:

O1c2c(OCCOCCOCCOCC1)cccc2C1CCCCC1

InChI:

InChI=1/C20H30O5/c1-2-5-17(6-3-1)18-7-4-8-19-20(18)25-16-14-23-12-10-21-9-11-22-13-15-24-19/h4,7-8,17H,1-3,5-6,9-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.49 kcal/mol

Physical Properties
Molecular Weight: 350.455 g/mol	logS: -4.69693	SlogP: 3.5553	Reactive groups: 0

Topological Properties
Globularity: 0.0741255	Sterimol/B1: 2.42898	Sterimol/B2: 2.49046	Sterimol/B3: 4.75286
Sterimol/B4: 8.82623	Sterimol/L: 15.7426

Surface and Volume Properties
Accessible surface: 594.066	Positive charged surface: 492.622	Negative charged surface: 101.444	Volume: 354.75
Hydrophobic surface: 569.751	Hydrophilic surface: 24.315

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.