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MMsINC code: MMs00656795

Type: Neutral
Formula: C₁₇H₁₃BrN₂O₃

SMILES:

Brc1ccc(NC(=O)C2C(=O)CN(C2=O)c2ccccc2)cc1

InChI:

InChI=1/C17H13BrN2O3/c18-11-6-8-12(9-7-11)19-16(22)15-14(21)10-20(17(15)23)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,19,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1592 kcal/mol

Physical Properties
Molecular Weight: 373.206 g/mol	logS: -4.80447	SlogP: 2.6197	Reactive groups: 0

Topological Properties
Globularity: 0.0526933	Sterimol/B1: 2.9081	Sterimol/B2: 3.22199	Sterimol/B3: 4.57197
Sterimol/B4: 5.91648	Sterimol/L: 17.8279

Surface and Volume Properties
Accessible surface: 560.084	Positive charged surface: 256.116	Negative charged surface: 303.968	Volume: 301.625
Hydrophobic surface: 456.437	Hydrophilic surface: 103.647

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00656799 CHEMBRIDGE-ZINC01065146	MMs00656796 CHEMBRIDGE-ZINC01065146	MMs00656798 CHEMBRIDGE-ZINC01065146
MMs00656797 CHEMBRIDGE-ZINC01065146