MMsINC Database Search


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

MMsINC code: MMs00606575

Type: Neutral
Formula: C₁₅H₂₀FNO

SMILES:

Fc1cc(NC(=O)CCC2CCCCC2)ccc1

InChI:

InChI=1/C15H20FNO/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2325 kcal/mol

Physical Properties
Molecular Weight: 249.329 g/mol	logS: -5.08036	SlogP: 4.1247	Reactive groups: 0

Topological Properties
Globularity: 0.0290772	Sterimol/B1: 2.53597	Sterimol/B2: 2.96767	Sterimol/B3: 3.08269
Sterimol/B4: 5.25212	Sterimol/L: 16.5272

Surface and Volume Properties
Accessible surface: 502.612	Positive charged surface: 339.451	Negative charged surface: 163.16	Volume: 251.25
Hydrophobic surface: 460.696	Hydrophilic surface: 41.916

Pharmacophoric Properties
Hydrogen bond donors: 1	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.