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MMsINC code: MMs02956620

Type: Neutral
Formula: C₁₆H₁₂Br₂N₂O₂

SMILES:

Brc1cc(C(=O)N\N=C/C(/Br)=C\c2ccccc2)c(O)cc1

InChI:

InChI=1/C16H12Br2N2O2/c17-12-6-7-15(21)14(9-12)16(22)20-19-10-13(18)8-11-4-2-1-3-5-11/h1-10,21H,(H,20,22)/b13-8+,19-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.806 kcal/mol

Physical Properties
Molecular Weight: 424.092 g/mol	logS: -5.93149	SlogP: 4.4152	Reactive groups: 0

Topological Properties
Globularity: 0.116639	Sterimol/B1: 2.4015	Sterimol/B2: 3.56781	Sterimol/B3: 5.25944
Sterimol/B4: 7.22418	Sterimol/L: 15.2107

Surface and Volume Properties
Accessible surface: 568.807	Positive charged surface: 234.121	Negative charged surface: 334.685	Volume: 314.625
Hydrophobic surface: 471.45	Hydrophilic surface: 97.357

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.