MMsINC Database Search


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

MMsINC code: MMs03251492

Type: Neutral
Formula: C₁₅H₁₂F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)c1ccccc1NC(=O)C

InChI:

InChI=1/C15H12F2N2O2/c1-9(20)18-13-5-3-2-4-11(13)15(21)19-14-7-6-10(16)8-12(14)17/h2-8H,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0911 kcal/mol

Physical Properties
Molecular Weight: 290.269 g/mol	logS: -4.15428	SlogP: 3.1755	Reactive groups: 0

Topological Properties
Globularity: 0.0248547	Sterimol/B1: 1.969	Sterimol/B2: 2.46981	Sterimol/B3: 2.86391
Sterimol/B4: 8.94642	Sterimol/L: 13.6873

Surface and Volume Properties
Accessible surface: 500.612	Positive charged surface: 259.478	Negative charged surface: 241.134	Volume: 252.25
Hydrophobic surface: 433.502	Hydrophilic surface: 67.11

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.