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MMsINC code: MMs02054760

Type: Neutral
Formula: C₁₇H₁₅BrN₂O₂

SMILES:

Brc1cc(ccc1)C(=O)NC1CC(=O)N(C1)c1ccccc1

InChI:

InChI=1/C17H15BrN2O2/c18-13-6-4-5-12(9-13)17(22)19-14-10-16(21)20(11-14)15-7-2-1-3-8-15/h1-9,14H,10-11H2,(H,19,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6375 kcal/mol

Physical Properties
Molecular Weight: 359.223 g/mol	logS: -4.5426	SlogP: 2.9844	Reactive groups: 0

Topological Properties
Globularity: 0.0860492	Sterimol/B1: 3.59819	Sterimol/B2: 4.04085	Sterimol/B3: 4.49863
Sterimol/B4: 6.59792	Sterimol/L: 15.94

Surface and Volume Properties
Accessible surface: 564.648	Positive charged surface: 266.494	Negative charged surface: 298.154	Volume: 299.875
Hydrophobic surface: 494.255	Hydrophilic surface: 70.393

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.