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MMsINC code: MMs00758947

Type: Neutral
Formula: C₁₅H₁₄BrNO

SMILES:

Brc1ccccc1C(=O)N(Cc1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4663 kcal/mol

Physical Properties
Molecular Weight: 304.187 g/mol	logS: -4.28331	SlogP: 3.9877	Reactive groups: 0

Topological Properties
Globularity: 0.103914	Sterimol/B1: 2.25251	Sterimol/B2: 3.07323	Sterimol/B3: 4.21305
Sterimol/B4: 7.02474	Sterimol/L: 13.7308

Surface and Volume Properties
Accessible surface: 471.47	Positive charged surface: 251.771	Negative charged surface: 219.7	Volume: 263.25
Hydrophobic surface: 444.844	Hydrophilic surface: 26.626

Pharmacophoric Properties
Hydrogen bond donors: 0	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.