MMsINC Database Search


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

MMsINC code: MMs00984311

Type: Neutral
Formula: C₁₉H₁₇FN₂O

SMILES:

Fc1cc(NC(=O)C(n2cccc2)Cc2ccccc2)ccc1

InChI:

InChI=1/C19H17FN2O/c20-16-9-6-10-17(14-16)21-19(23)18(22-11-4-5-12-22)13-15-7-2-1-3-8-15/h1-12,14,18H,13H2,(H,21,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6879 kcal/mol

Physical Properties
Molecular Weight: 308.356 g/mol	logS: -3.84289	SlogP: 4.14517	Reactive groups: 0

Topological Properties
Globularity: 0.0673224	Sterimol/B1: 3.27211	Sterimol/B2: 3.37333	Sterimol/B3: 3.80116
Sterimol/B4: 6.38074	Sterimol/L: 16.4535

Surface and Volume Properties
Accessible surface: 557.458	Positive charged surface: 305.367	Negative charged surface: 252.091	Volume: 300
Hydrophobic surface: 515.914	Hydrophilic surface: 41.544

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.