MMsINC Database Search


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

MMsINC code: MMs01509747

Type: Neutral
Formula: C₁₇H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCC(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C17H17FN2O2/c1-11-4-3-5-12(2)16(11)20-15(21)10-19-17(22)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3161 kcal/mol

Physical Properties
Molecular Weight: 300.333 g/mol	logS: -4.14336	SlogP: 2.81104	Reactive groups: 0

Topological Properties
Globularity: 0.0537645	Sterimol/B1: 2.15022	Sterimol/B2: 2.49247	Sterimol/B3: 4.58581
Sterimol/B4: 6.27505	Sterimol/L: 16.7115

Surface and Volume Properties
Accessible surface: 543.767	Positive charged surface: 306.33	Negative charged surface: 237.437	Volume: 285.625
Hydrophobic surface: 468.633	Hydrophilic surface: 75.134

Pharmacophoric Properties
Hydrogen bond donors: 2	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.