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MMsINC code: MMs00109503

Type: Neutral
Formula: C₁₅H₁₄BrNO

SMILES:

Brc1ccc(NCC(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C15H14BrNO/c1-11-2-4-12(5-3-11)15(18)10-17-14-8-6-13(16)7-9-14/h2-9,17H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.062 kcal/mol

Physical Properties
Molecular Weight: 304.187 g/mol	logS: -4.8449	SlogP: 4.05232	Reactive groups: 0

Topological Properties
Globularity: 0.00596641	Sterimol/B1: 2.37682	Sterimol/B2: 2.51223	Sterimol/B3: 3.29472
Sterimol/B4: 5.05807	Sterimol/L: 17.4347

Surface and Volume Properties
Accessible surface: 515.488	Positive charged surface: 240.144	Negative charged surface: 275.344	Volume: 264.125
Hydrophobic surface: 463.662	Hydrophilic surface: 51.826

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.