MMsINC Database Search


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MMsINC code: MMs00359211

Type: Neutral
Formula: C₁₆H₂₃FN₂O

SMILES:

Fc1ccc(cc1)C(=O)NC1CC(NC(C1)(C)C)(C)C

InChI:

InChI=1/C16H23FN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.8176 kcal/mol

Physical Properties
Molecular Weight: 278.371 g/mol	logS: -3.45415	SlogP: 2.8647	Reactive groups: 0

Topological Properties
Globularity: 0.119158	Sterimol/B1: 1.969	Sterimol/B2: 3.64654	Sterimol/B3: 5.69511
Sterimol/B4: 5.75666	Sterimol/L: 14.8666

Surface and Volume Properties
Accessible surface: 521.788	Positive charged surface: 320.976	Negative charged surface: 200.812	Volume: 281.75
Hydrophobic surface: 413.129	Hydrophilic surface: 108.659

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

MMs00359212
ASINEX-ZINC04675929