MMsINC Database Search


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MMsINC code: MMs00492851

Type: Neutral
Formula: C₁₇H₁₃FN₂O

SMILES:

Fc1ccccc1C(=O)Nc1cc2c(nc(cc2)C)cc1

InChI:

InChI=1/C17H13FN2O/c1-11-6-7-12-10-13(8-9-16(12)19-11)20-17(21)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1491 kcal/mol

Physical Properties
Molecular Weight: 280.302 g/mol	logS: -4.55178	SlogP: 3.93462	Reactive groups: 0

Topological Properties
Globularity: 0.0144908	Sterimol/B1: 2.57748	Sterimol/B2: 2.68151	Sterimol/B3: 3.7531
Sterimol/B4: 4.6269	Sterimol/L: 17.1516

Surface and Volume Properties
Accessible surface: 520.706	Positive charged surface: 279.374	Negative charged surface: 235.77	Volume: 264.625
Hydrophobic surface: 468.405	Hydrophilic surface: 52.301

Pharmacophoric Properties
Hydrogen bond donors: 1	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.