MMsINC Database Search


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

MMsINC code: MMs01259977

Type: Neutral
Formula: C₁₆H₁₂F₄N₂O₂

SMILES:

Fc1ccccc1C(=O)NNC(=O)Cc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C16H12F4N2O2/c17-13-7-2-1-6-12(13)15(24)22-21-14(23)9-10-4-3-5-11(8-10)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8001 kcal/mol

Physical Properties
Molecular Weight: 340.276 g/mol	logS: -4.9964	SlogP: 3.15967	Reactive groups: 0

Topological Properties
Globularity: 0.0611859	Sterimol/B1: 2.48888	Sterimol/B2: 3.78265	Sterimol/B3: 4.5168
Sterimol/B4: 5.90122	Sterimol/L: 17.1719

Surface and Volume Properties
Accessible surface: 552.85	Positive charged surface: 242.67	Negative charged surface: 310.179	Volume: 279.875
Hydrophobic surface: 359.124	Hydrophilic surface: 193.726

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.