MMsINC Database Search


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

MMsINC code: MMs00742788

Type: Neutral
Formula: C₁₉H₁₄FN₃O₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ncccc1

InChI:

InChI=1/C19H14FN3O2/c20-15-9-3-1-7-13(15)18(24)22-16-10-4-2-8-14(16)19(25)23-17-11-5-6-12-21-17/h1-12H,(H,22,24)(H,21,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4386 kcal/mol

Physical Properties
Molecular Weight: 335.338 g/mol	logS: -4.67296	SlogP: 3.7253	Reactive groups: 0

Topological Properties
Globularity: 0.0132732	Sterimol/B1: 2.4647	Sterimol/B2: 2.65089	Sterimol/B3: 2.73694
Sterimol/B4: 9.76818	Sterimol/L: 16.1348

Surface and Volume Properties
Accessible surface: 573.479	Positive charged surface: 323.433	Negative charged surface: 250.045	Volume: 304
Hydrophobic surface: 504.672	Hydrophilic surface: 68.807

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.