MMsINC Database Search


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

MMsINC code: MMs03278055

Type: Neutral
Formula: C₁₅H₂₂FNO

SMILES:

Fc1ccccc1C(=O)NCC(CCCC)CC

InChI:

InChI=1/C15H22FNO/c1-3-5-8-12(4-2)11-17-15(18)13-9-6-7-10-14(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.019 kcal/mol

Physical Properties
Molecular Weight: 251.345 g/mol	logS: -4.61762	SlogP: 3.7719	Reactive groups: 0

Topological Properties
Globularity: 0.0669616	Sterimol/B1: 2.41714	Sterimol/B2: 3.54598	Sterimol/B3: 4.70436
Sterimol/B4: 5.24548	Sterimol/L: 17.1397

Surface and Volume Properties
Accessible surface: 517.741	Positive charged surface: 331.004	Negative charged surface: 186.737	Volume: 264.25
Hydrophobic surface: 440.442	Hydrophilic surface: 77.299

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.