MMsINC Database Search


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MMsINC code: MMs00623820

Type: Neutral
Formula: C₁₇H₁₇FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2cc(NC(=O)C(C)C)ccc2)cc1

InChI:

InChI=1/C17H17FN2O2/c1-11(2)16(21)20-15-5-3-4-12(10-15)17(22)19-14-8-6-13(18)7-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3911 kcal/mol

Physical Properties
Molecular Weight: 300.333 g/mol	logS: -4.26284	SlogP: 3.6725	Reactive groups: 0

Topological Properties
Globularity: 0.0168698	Sterimol/B1: 2.56588	Sterimol/B2: 3.25444	Sterimol/B3: 4.36886
Sterimol/B4: 6.06805	Sterimol/L: 17.1908

Surface and Volume Properties
Accessible surface: 553.743	Positive charged surface: 315.268	Negative charged surface: 238.475	Volume: 286
Hydrophobic surface: 445.664	Hydrophilic surface: 108.079

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

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Ions/Tautomers related molecules: no related molecules available.