MMsINC Database Search


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MMsINC code: MMs01435266

Type: Neutral
Formula: C₁₅H₁₂Br₂FNO₂

SMILES:

Brc1cc(Br)cc(C(=O)N(Cc2ccccc2F)C)c1O

InChI:

InChI=1/C15H12Br2FNO2/c1-19(8-9-4-2-3-5-13(9)18)15(21)11-6-10(16)7-12(17)14(11)20/h2-7,20H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5272 kcal/mol

Physical Properties
Molecular Weight: 417.072 g/mol	logS: -5.30673	SlogP: 4.5949	Reactive groups: 0

Topological Properties
Globularity: 0.117969	Sterimol/B1: 2.51181	Sterimol/B2: 3.45776	Sterimol/B3: 4.19667
Sterimol/B4: 7.38341	Sterimol/L: 14.1043

Surface and Volume Properties
Accessible surface: 537.778	Positive charged surface: 224.351	Negative charged surface: 313.427	Volume: 299.25
Hydrophobic surface: 473.037	Hydrophilic surface: 64.741

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.