MMsINC Database Search


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

MMsINC code: MMs02362882

Type: Neutral
Formula: C₁₅H₁₃FN₂O₂

SMILES:

Fc1ccccc1NC(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C15H13FN2O2/c1-10(19)11-5-4-6-12(9-11)17-15(20)18-14-8-3-2-7-13(14)16/h2-9H,1H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2483 kcal/mol

Physical Properties
Molecular Weight: 272.279 g/mol	logS: -3.8593	SlogP: 3.6723	Reactive groups: 0

Topological Properties
Globularity: 0.0414848	Sterimol/B1: 2.51441	Sterimol/B2: 2.73638	Sterimol/B3: 3.61617
Sterimol/B4: 6.83282	Sterimol/L: 15.0448

Surface and Volume Properties
Accessible surface: 500.198	Positive charged surface: 275.196	Negative charged surface: 225.002	Volume: 250.125
Hydrophobic surface: 401.939	Hydrophilic surface: 98.259

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.