MMsINC Database Search


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MMsINC code: MMs01374833

Type: Neutral
Formula: C₁₅H₁₂BrF₂NO₂

SMILES:

Brc1cc(F)ccc1OCC(=O)NCc1ccccc1F

InChI:

InChI=1/C15H12BrF2NO2/c16-12-7-11(17)5-6-14(12)21-9-15(20)19-8-10-3-1-2-4-13(10)18/h1-7H,8-9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6957 kcal/mol

Physical Properties
Molecular Weight: 356.166 g/mol	logS: -5.05608	SlogP: 3.6889	Reactive groups: 0

Topological Properties
Globularity: 0.0440977	Sterimol/B1: 2.41967	Sterimol/B2: 3.89746	Sterimol/B3: 5.05438
Sterimol/B4: 5.45414	Sterimol/L: 17.0203

Surface and Volume Properties
Accessible surface: 551.108	Positive charged surface: 253.516	Negative charged surface: 297.592	Volume: 277.75
Hydrophobic surface: 495.412	Hydrophilic surface: 55.696

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.