MMsINC Database Search


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MMsINC code: MMs00672081

Type: Neutral
Formula: C₁₉H₁₄BrNO₂

SMILES:

Brc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)cc1

InChI:

InChI=1/C19H14BrNO2/c20-15-6-10-17(11-7-15)23-18-12-8-16(9-13-18)21-19(22)14-4-2-1-3-5-14/h1-13H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.372 kcal/mol

Physical Properties
Molecular Weight: 368.23 g/mol	logS: -6.22797	SlogP: 5.4937	Reactive groups: 0

Topological Properties
Globularity: 0.0550317	Sterimol/B1: 3.46007	Sterimol/B2: 3.95859	Sterimol/B3: 4.21571
Sterimol/B4: 4.23012	Sterimol/L: 19.1171

Surface and Volume Properties
Accessible surface: 586.172	Positive charged surface: 266.087	Negative charged surface: 320.085	Volume: 312.5
Hydrophobic surface: 550.005	Hydrophilic surface: 36.167

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.