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MMsINC code: MMs01276452

Type: Neutral
Formula: C₂₁H₁₇BrFNO₂

SMILES:

Brc1cc(F)c(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C21H17BrFNO2/c22-17-11-12-19(18(23)13-17)26-14-20(25)24-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6591 kcal/mol

Physical Properties
Molecular Weight: 414.274 g/mol	logS: -6.529	SlogP: 4.9683	Reactive groups: 0

Topological Properties
Globularity: 0.101047	Sterimol/B1: 2.24945	Sterimol/B2: 3.93748	Sterimol/B3: 4.26969
Sterimol/B4: 9.1267	Sterimol/L: 17.7348

Surface and Volume Properties
Accessible surface: 651.475	Positive charged surface: 293.348	Negative charged surface: 358.127	Volume: 351.5
Hydrophobic surface: 609.023	Hydrophilic surface: 42.452

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.