MMsINC Database Search


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MMsINC code: MMs02712243

Type: Neutral
Formula: C₁₅H₁₅FN₂O₂

SMILES:

Fc1cc(NC(=O)Nc2ccc(OC)cc2)c(cc1)C

InChI:

InChI=1/C15H15FN2O2/c1-10-3-4-11(16)9-14(10)18-15(19)17-12-5-7-13(20-2)8-6-12/h3-9H,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6556 kcal/mol

Physical Properties
Molecular Weight: 274.295 g/mol	logS: -3.75788	SlogP: 3.78672	Reactive groups: 0

Topological Properties
Globularity: 0.0320886	Sterimol/B1: 2.07974	Sterimol/B2: 2.84592	Sterimol/B3: 3.38442
Sterimol/B4: 6.90042	Sterimol/L: 16.7913

Surface and Volume Properties
Accessible surface: 506.607	Positive charged surface: 317.427	Negative charged surface: 189.18	Volume: 255.625
Hydrophobic surface: 448.046	Hydrophilic surface: 58.561

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.