MMsINC Database Search


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

MMsINC code: MMs00869772

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₂

SMILES:

Fc1ccccc1C(=O)NCCNC(=O)c1ccccc1F

InChI:

InChI=1/C16H14F2N2O2/c17-13-7-3-1-5-11(13)15(21)19-9-10-20-16(22)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0423 kcal/mol

Physical Properties
Molecular Weight: 304.296 g/mol	logS: -4.06144	SlogP: 2.1246	Reactive groups: 0

Topological Properties
Globularity: 0.003847	Sterimol/B1: 2.37369	Sterimol/B2: 2.3779	Sterimol/B3: 2.64128
Sterimol/B4: 5.57152	Sterimol/L: 18.7481

Surface and Volume Properties
Accessible surface: 541.005	Positive charged surface: 289.203	Negative charged surface: 251.802	Volume: 273.625
Hydrophobic surface: 462.156	Hydrophilic surface: 78.849

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.