MMsINC Database Search


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

MMsINC code: MMs02732084

Type: Neutral
Formula: C₂₂H₁₄FN₇

SMILES:

Fc1cc(ccc1)-c1nc(ncc1-c1nnnn1-c1ccccc1)-c1ccncc1

InChI:

InChI=1/C22H14FN7/c23-17-6-4-5-16(13-17)20-19(14-25-21(26-20)15-9-11-24-12-10-15)22-27-28-29-30(22)18-7-2-1-3-8-18/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.044 kcal/mol

Physical Properties
Molecular Weight: 395.401 g/mol	logS: -6.75953	SlogP: 3.9874	Reactive groups: 0

Topological Properties
Globularity: 0.100387	Sterimol/B1: 2.42422	Sterimol/B2: 2.72453	Sterimol/B3: 4.8477
Sterimol/B4: 11.1097	Sterimol/L: 14.405

Surface and Volume Properties
Accessible surface: 616.966	Positive charged surface: 325.111	Negative charged surface: 256.79	Volume: 358.375
Hydrophobic surface: 544.832	Hydrophilic surface: 72.134

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.