MMsINC Database Search


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

MMsINC code: MMs03432637

Type: Neutral
Formula: C₁₅H₁₂F₂N₂

SMILES:

Fc1cccc(F)c1Cn1c2c(nc1C)cccc2

InChI:

InChI=1/C15H12F2N2/c1-10-18-14-7-2-3-8-15(14)19(10)9-11-12(16)5-4-6-13(11)17/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.1785 kcal/mol

Physical Properties
Molecular Weight: 258.271 g/mol	logS: -4.04874	SlogP: 3.93762	Reactive groups: 0

Topological Properties
Globularity: 0.130753	Sterimol/B1: 2.43637	Sterimol/B2: 3.11299	Sterimol/B3: 3.70576
Sterimol/B4: 7.94655	Sterimol/L: 12.3778

Surface and Volume Properties
Accessible surface: 445.255	Positive charged surface: 242.752	Negative charged surface: 202.503	Volume: 240
Hydrophobic surface: 408.664	Hydrophilic surface: 36.591

Pharmacophoric Properties
Hydrogen bond donors: 0	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.