MMsINC Database Search


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MMsINC code: MMs03925385

Type: Ionized
Formula: C₁₉H₃₅O₂-

SMILES:

O=C([O-])CCCCCCCCCCCCCCCCC=C

InChI:

InChI=1/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2H,1,3-18H2,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.637 kcal/mol

Physical Properties
Molecular Weight: 295.487 g/mol	logS: -7.94688	SlogP: 5.1639	Reactive groups: 0

Topological Properties
Globularity: 0.0114048	Sterimol/B1: 2.34933	Sterimol/B2: 2.35793	Sterimol/B3: 3.34278
Sterimol/B4: 3.63051	Sterimol/L: 27.6494

Surface and Volume Properties
Accessible surface: 720.568	Positive charged surface: 549.678	Negative charged surface: 170.89	Volume: 350.75
Hydrophobic surface: 571.702	Hydrophilic surface: 148.866

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Parent related molecule:

MMs03925384
SIAL-ZINC04789662