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MMsINC code: MMs00618796

Type: Neutral
Formula: C₁₅H₁₄BrNO₂

SMILES:

Brc1cc(C(=O)Nc2ccccc2C)c(OC)cc1

InChI:

InChI=1/C15H14BrNO2/c1-10-5-3-4-6-13(10)17-15(18)12-9-11(16)7-8-14(12)19-2/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.638 kcal/mol

Physical Properties
Molecular Weight: 320.186 g/mol	logS: -4.65611	SlogP: 4.01842	Reactive groups: 0

Topological Properties
Globularity: 0.0255739	Sterimol/B1: 2.19774	Sterimol/B2: 3.51811	Sterimol/B3: 4.34302
Sterimol/B4: 6.99271	Sterimol/L: 13.5743

Surface and Volume Properties
Accessible surface: 515.147	Positive charged surface: 274.525	Negative charged surface: 240.622	Volume: 270.25
Hydrophobic surface: 487.165	Hydrophilic surface: 27.982

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.