MMsINC Database Search


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

MMsINC code: MMs00752373

Type: Neutral
Formula: C₁₄H₂₁FOS

SMILES:

S(C(C)C)CCCCCOc1ccccc1F

InChI:

InChI=1/C14H21FOS/c1-12(2)17-11-7-3-6-10-16-14-9-5-4-8-13(14)15/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4042 kcal/mol

Physical Properties
Molecular Weight: 256.385 g/mol	logS: -3.98185	SlogP: 4.5164	Reactive groups: 0

Topological Properties
Globularity: 0.0199733	Sterimol/B1: 2.43265	Sterimol/B2: 2.89597	Sterimol/B3: 3.57291
Sterimol/B4: 5.1878	Sterimol/L: 18.7538

Surface and Volume Properties
Accessible surface: 541.554	Positive charged surface: 353.246	Negative charged surface: 188.307	Volume: 265.625
Hydrophobic surface: 465.082	Hydrophilic surface: 76.472

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.