MMsINC Database Search


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MMsINC code: MMs01632764

Type: Neutral
Formula: C₁₆H₁₄BrFN₂O₂

SMILES:

Brc1cc(F)c(NC(=O)CNc2cc(ccc2)C(=O)C)cc1

InChI:

InChI=1/C16H14BrFN2O2/c1-10(21)11-3-2-4-13(7-11)19-9-16(22)20-15-6-5-12(17)8-14(15)18/h2-8,19H,9H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3968 kcal/mol

Physical Properties
Molecular Weight: 365.202 g/mol	logS: -4.87541	SlogP: 3.8414	Reactive groups: 0

Topological Properties
Globularity: 0.0116701	Sterimol/B1: 2.49898	Sterimol/B2: 2.87684	Sterimol/B3: 3.3282
Sterimol/B4: 5.41019	Sterimol/L: 19.4

Surface and Volume Properties
Accessible surface: 576.229	Positive charged surface: 270.41	Negative charged surface: 305.819	Volume: 294.625
Hydrophobic surface: 470.957	Hydrophilic surface: 105.272

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.