MMsINC Database Search


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MMsINC code: MMs01683174

Type: Neutral
Formula: C₁₇H₁₅FN₂O₃

SMILES:

Fc1ccccc1C(=O)NCC(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C17H15FN2O3/c1-11(21)12-5-4-6-13(9-12)20-16(22)10-19-17(23)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,23)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.5893 kcal/mol

Physical Properties
Molecular Weight: 314.316 g/mol	logS: -4.13469	SlogP: 2.3968	Reactive groups: 0

Topological Properties
Globularity: 0.0168127	Sterimol/B1: 2.52192	Sterimol/B2: 2.52375	Sterimol/B3: 3.15883
Sterimol/B4: 7.19951	Sterimol/L: 17.226

Surface and Volume Properties
Accessible surface: 566.121	Positive charged surface: 311.805	Negative charged surface: 254.316	Volume: 287.5
Hydrophobic surface: 435.707	Hydrophilic surface: 130.414

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.