MMsINC Database Search


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

MMsINC code: MMs01687419

Type: Neutral
Formula: C₁₇H₁₆F₂N₂O₂

SMILES:

Fc1cc(NC(=O)CC(NC(=O)C)c2ccccc2)ccc1F

InChI:

InChI=1/C17H16F2N2O2/c1-11(22)20-16(12-5-3-2-4-6-12)10-17(23)21-13-7-8-14(18)15(19)9-13/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.5607 kcal/mol

Physical Properties
Molecular Weight: 318.323 g/mol	logS: -4.00668	SlogP: 3.2663	Reactive groups: 0

Topological Properties
Globularity: 0.102126	Sterimol/B1: 2.2728	Sterimol/B2: 3.37068	Sterimol/B3: 4.29074
Sterimol/B4: 7.6115	Sterimol/L: 16.5484

Surface and Volume Properties
Accessible surface: 556.629	Positive charged surface: 298.717	Negative charged surface: 257.911	Volume: 290.5
Hydrophobic surface: 484.942	Hydrophilic surface: 71.687

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.