MMsINC Database Search


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

MMsINC code: MMs01451120

Type: Neutral
Formula: C₁₅H₁₁F₄NO

SMILES:

Fc1ccccc1CC(=O)Nc1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C15H11F4NO/c16-13-4-2-1-3-10(13)9-14(21)20-12-7-5-11(6-8-12)15(17,18)19/h1-8H,9H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5978 kcal/mol

Physical Properties
Molecular Weight: 297.251 g/mol	logS: -4.76787	SlogP: 4.33717	Reactive groups: 0

Topological Properties
Globularity: 0.074191	Sterimol/B1: 2.7764	Sterimol/B2: 3.01649	Sterimol/B3: 4.85089
Sterimol/B4: 5.03837	Sterimol/L: 15.1819

Surface and Volume Properties
Accessible surface: 494.989	Positive charged surface: 218.554	Negative charged surface: 276.435	Volume: 248.5
Hydrophobic surface: 355.647	Hydrophilic surface: 139.342

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.