MMsINC Database Search


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MMsINC code: MMs02206832

Type: Neutral
Formula: C₁₅H₈BrF₂NO₂

SMILES:

Brc1cc2c(N(Cc3cc(F)cc(F)c3)C(=O)C2=O)cc1

InChI:

InChI=1/C15H8BrF2NO2/c16-9-1-2-13-12(5-9)14(20)15(21)19(13)7-8-3-10(17)6-11(18)4-8/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9053 kcal/mol

Physical Properties
Molecular Weight: 352.134 g/mol	logS: -5.38298	SlogP: 3.7232	Reactive groups: 0

Topological Properties
Globularity: 0.128184	Sterimol/B1: 2.91496	Sterimol/B2: 3.43346	Sterimol/B3: 3.53863
Sterimol/B4: 6.65963	Sterimol/L: 13.7639

Surface and Volume Properties
Accessible surface: 488.783	Positive charged surface: 179.558	Negative charged surface: 309.225	Volume: 257.875
Hydrophobic surface: 393.379	Hydrophilic surface: 95.404

Pharmacophoric Properties
Hydrogen bond donors: 0	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.