MMsINC Database Search


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

MMsINC code: MMs00919687

Type: Neutral
Formula: C₁₆H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)-c1onc(c1)C(=O)N1CCCCCC1

InChI:

InChI=1/C16H17FN2O2/c17-13-7-5-12(6-8-13)15-11-14(18-21-15)16(20)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.954 kcal/mol

Physical Properties
Molecular Weight: 288.322 g/mol	logS: -3.87037	SlogP: 3.4969	Reactive groups: 0

Topological Properties
Globularity: 0.0395467	Sterimol/B1: 2.80286	Sterimol/B2: 3.12338	Sterimol/B3: 3.59795
Sterimol/B4: 5.54985	Sterimol/L: 16.2541

Surface and Volume Properties
Accessible surface: 507.073	Positive charged surface: 314.296	Negative charged surface: 192.777	Volume: 267.625
Hydrophobic surface: 463.012	Hydrophilic surface: 44.061

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.