MMsINC Database Search


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

MMsINC code: MMs00706854

Type: Neutral
Formula: C₂₁H₁₄F₂N₂

SMILES:

Fc1ccc(cc1)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C

InChI:

InChI=1/C21H14F2N2/c1-13-2-11-18-19(12-13)25-21(15-5-9-17(23)10-6-15)20(24-18)14-3-7-16(22)8-4-14/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.941 kcal/mol

Physical Properties
Molecular Weight: 332.353 g/mol	logS: -6.53832	SlogP: 5.55042	Reactive groups: 0

Topological Properties
Globularity: 0.046544	Sterimol/B1: 3.078	Sterimol/B2: 3.29452	Sterimol/B3: 5.14368
Sterimol/B4: 6.23936	Sterimol/L: 14.9734

Surface and Volume Properties
Accessible surface: 551.301	Positive charged surface: 290.007	Negative charged surface: 256.378	Volume: 308.125
Hydrophobic surface: 513.277	Hydrophilic surface: 38.024

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.