MMsINC Database Search


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

MMsINC code: MMs00183114

Type: Neutral
Formula: C₁₄H₁₁FINO

SMILES:

Ic1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C14H11FINO/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(16)8-4-11/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5254 kcal/mol

Physical Properties
Molecular Weight: 355.15 g/mol	logS: -4.58541	SlogP: 3.6267	Reactive groups: 0

Topological Properties
Globularity: 0.0710273	Sterimol/B1: 2.4213	Sterimol/B2: 4.02883	Sterimol/B3: 4.81834
Sterimol/B4: 4.84703	Sterimol/L: 16.0558

Surface and Volume Properties
Accessible surface: 502.077	Positive charged surface: 211.061	Negative charged surface: 291.016	Volume: 254.5
Hydrophobic surface: 455.039	Hydrophilic surface: 47.038

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.