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MMsINC code: MMs00859187

Type: Neutral
Formula: C₂₃H₁₇BrN₂O₃

SMILES:

Brc1cc(ccc1)C1N(C(=O)C(O)=C1C(=O)c1ccc(cc1)C)c1ncccc1

InChI:

InChI=1/C23H17BrN2O3/c1-14-8-10-15(11-9-14)21(27)19-20(16-5-4-6-17(24)13-16)26(23(29)22(19)28)18-7-2-3-12-25-18/h2-13,20,28H,1H3/t20-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3162 kcal/mol

Physical Properties
Molecular Weight: 449.304 g/mol	logS: -6.30389	SlogP: 5.03092	Reactive groups: 1

Topological Properties
Globularity: 0.212529	Sterimol/B1: 3.05632	Sterimol/B2: 3.41939	Sterimol/B3: 6.96877
Sterimol/B4: 7.46235	Sterimol/L: 15.7779

Surface and Volume Properties
Accessible surface: 659.861	Positive charged surface: 322.713	Negative charged surface: 337.148	Volume: 381.25
Hydrophobic surface: 551.094	Hydrophilic surface: 108.767

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00859188
CHEMDIV-ZINC00934484