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MMsINC code: MMs00433195

Type: Neutral
Formula: C₁₇H₁₆F₂N₂O₂

SMILES:

Fc1ccccc1C(=O)NCCCNC(=O)c1ccccc1F

InChI:

InChI=1/C17H16F2N2O2/c18-14-8-3-1-6-12(14)16(22)20-10-5-11-21-17(23)13-7-2-4-9-15(13)19/h1-4,6-9H,5,10-11H2,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.973 kcal/mol

Physical Properties
Molecular Weight: 318.323 g/mol	logS: -4.26321	SlogP: 2.5147	Reactive groups: 0

Topological Properties
Globularity: 0.00488789	Sterimol/B1: 2.37195	Sterimol/B2: 2.37856	Sterimol/B3: 2.56051
Sterimol/B4: 5.99089	Sterimol/L: 19.4794

Surface and Volume Properties
Accessible surface: 574.478	Positive charged surface: 323.954	Negative charged surface: 250.524	Volume: 292.25
Hydrophobic surface: 495.178	Hydrophilic surface: 79.3

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

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Ions/Tautomers related molecules: no related molecules available.