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MMsINC code: MMs00222906

Type: Neutral
Formula: C₂₄H₁₉BrN₂O₂

SMILES:

Brc1ccc(cc1)C(=O)N(CC1=CC(=O)Nc2c1cccc2)c1cc(ccc1)C

InChI:

InChI=1/C24H19BrN2O2/c1-16-5-4-6-20(13-16)27(24(29)17-9-11-19(25)12-10-17)15-18-14-23(28)26-22-8-3-2-7-21(18)22/h2-14H,15H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.242 kcal/mol

Physical Properties
Molecular Weight: 447.332 g/mol	logS: -7.44743	SlogP: 5.44002	Reactive groups: 0

Topological Properties
Globularity: 0.244671	Sterimol/B1: 2.21715	Sterimol/B2: 2.92484	Sterimol/B3: 6.53321
Sterimol/B4: 8.23573	Sterimol/L: 15.0749

Surface and Volume Properties
Accessible surface: 620.756	Positive charged surface: 309.938	Negative charged surface: 310.818	Volume: 386
Hydrophobic surface: 516.32	Hydrophilic surface: 104.436

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.