MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01666828

Type: Neutral
Formula: C₁₄H₁₁BrFNO₂

SMILES:

Brc1cc(C(=O)NCc2ccc(F)cc2)c(O)cc1

InChI:

InChI=1/C14H11BrFNO2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4868 kcal/mol

Physical Properties
Molecular Weight: 324.149 g/mol	logS: -4.32233	SlogP: 3.4902	Reactive groups: 0

Topological Properties
Globularity: 0.0716614	Sterimol/B1: 2.49482	Sterimol/B2: 3.7522	Sterimol/B3: 4.83101
Sterimol/B4: 6.32932	Sterimol/L: 14.6416

Surface and Volume Properties
Accessible surface: 504.393	Positive charged surface: 228.571	Negative charged surface: 275.821	Volume: 256.625
Hydrophobic surface: 420.301	Hydrophilic surface: 84.092

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.