MMsINC Database Search


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

MMsINC code: MMs00481181

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)Nc1cc(cc(c1)C)C

InChI:

InChI=1/C20H23FN2O2/c1-12(2)18(23-19(24)16-7-5-6-8-17(16)21)20(25)22-15-10-13(3)9-14(4)11-15/h5-12,18H,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.402 kcal/mol

Physical Properties
Molecular Weight: 342.414 g/mol	logS: -5.50101	SlogP: 3.83564	Reactive groups: 0

Topological Properties
Globularity: 0.0960716	Sterimol/B1: 2.38225	Sterimol/B2: 2.67092	Sterimol/B3: 6.25578
Sterimol/B4: 7.69926	Sterimol/L: 17.5677

Surface and Volume Properties
Accessible surface: 618.231	Positive charged surface: 363.723	Negative charged surface: 254.508	Volume: 336.125
Hydrophobic surface: 532.686	Hydrophilic surface: 85.545

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