MMsINC Database Search


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

MMsINC code: MMs02166838

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)NCCCOc1cc(NC(=O)C)ccc1

InChI:

InChI=1/C18H19FN2O3/c1-13(22)21-16-4-2-5-17(12-16)24-11-3-10-20-18(23)14-6-8-15(19)9-7-14/h2,4-9,12H,3,10-11H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0856 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -4.08193	SlogP: 2.983	Reactive groups: 0

Topological Properties
Globularity: 0.00677576	Sterimol/B1: 2.32727	Sterimol/B2: 2.82144	Sterimol/B3: 2.93885
Sterimol/B4: 6.27686	Sterimol/L: 21.7009

Surface and Volume Properties
Accessible surface: 616.454	Positive charged surface: 367.602	Negative charged surface: 248.852	Volume: 312.875
Hydrophobic surface: 517.126	Hydrophilic surface: 99.328

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.