MMsINC Database Search


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MMsINC code: MMs02879318

Type: Neutral
Formula: C₁₅H₁₃FN₂O₂

SMILES:

Fc1cc(NC(=O)Nc2ccc(cc2)C(=O)C)ccc1

InChI:

InChI=1/C15H13FN2O2/c1-10(19)11-5-7-13(8-6-11)17-15(20)18-14-4-2-3-12(16)9-14/h2-9H,1H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1224 kcal/mol

Physical Properties
Molecular Weight: 272.279 g/mol	logS: -3.8593	SlogP: 3.6723	Reactive groups: 0

Topological Properties
Globularity: 0.0190267	Sterimol/B1: 2.13661	Sterimol/B2: 3.29999	Sterimol/B3: 4.23829
Sterimol/B4: 4.29968	Sterimol/L: 16.5654

Surface and Volume Properties
Accessible surface: 499.804	Positive charged surface: 269.37	Negative charged surface: 230.433	Volume: 251.375
Hydrophobic surface: 395.737	Hydrophilic surface: 104.067

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.