MMsINC Database Search


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

MMsINC code: MMs03380709

Type: Neutral
Formula: C₁₃H₁₂FN

SMILES:

Fc1ccccc1-c1cc(ccc1)CN

InChI:

InChI=1/C13H12FN/c14-13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-15/h1-8H,9,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.4546 kcal/mol

Physical Properties
Molecular Weight: 201.244 g/mol	logS: -3.77116	SlogP: 3.2178	Reactive groups: 0

Topological Properties
Globularity: 0.0849769	Sterimol/B1: 2.28768	Sterimol/B2: 2.33154	Sterimol/B3: 3.95761
Sterimol/B4: 6.03069	Sterimol/L: 12.4804

Surface and Volume Properties
Accessible surface: 418.31	Positive charged surface: 244.18	Negative charged surface: 169.057	Volume: 204
Hydrophobic surface: 344.265	Hydrophilic surface: 74.045

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

MMs03380710
PUBCHEM-ZINC05768171