MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03926717

Type: Ionized
Formula: C₁₈H₃₅O₂-

SMILES:

O=C([O-])CCCCCCCCCCCCCCCCC

InChI:

InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.889145 kcal/mol

Physical Properties
Molecular Weight: 283.476 g/mol	logS: -7.78426	SlogP: 4.9978	Reactive groups: 0

Topological Properties
Globularity: 0.0106881	Sterimol/B1: 1.485	Sterimol/B2: 1.62879	Sterimol/B3: 3.26861
Sterimol/B4: 4.34671	Sterimol/L: 26.7375

Surface and Volume Properties
Accessible surface: 689.02	Positive charged surface: 528.542	Negative charged surface: 160.478	Volume: 333.5
Hydrophobic surface: 569.35	Hydrophilic surface: 119.67

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: 0	Oprea's lead like rule: 0

search links for this molecule:

Parent related molecule:

MMs03926716
SIAL-ZINC04978673