MMsINC Database Search


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MMsINC code: MMs01348657

Type: Neutral
Formula: C₁₄H₁₀BrF₂NO

SMILES:

Brc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1C

InChI:

InChI=1/C14H10BrF2NO/c1-8-4-12(2-3-13(8)15)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3227 kcal/mol

Physical Properties
Molecular Weight: 326.14 g/mol	logS: -5.19569	SlogP: 4.28802	Reactive groups: 0

Topological Properties
Globularity: 0.0239008	Sterimol/B1: 2.31567	Sterimol/B2: 2.55041	Sterimol/B3: 3.09111
Sterimol/B4: 6.12036	Sterimol/L: 15.7365

Surface and Volume Properties
Accessible surface: 485.135	Positive charged surface: 195.48	Negative charged surface: 289.655	Volume: 251.375
Hydrophobic surface: 447.808	Hydrophilic surface: 37.327

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.