MMsINC Database Search


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MMsINC code: MMs00715372

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₂

SMILES:

Fc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1F

InChI:

InChI=1/C18H18F2N2O2/c19-15-9-3-1-7-13(15)17(23)21-11-5-6-12-22-18(24)14-8-2-4-10-16(14)20/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.684 kcal/mol

Physical Properties
Molecular Weight: 332.35 g/mol	logS: -4.46498	SlogP: 2.9048	Reactive groups: 0

Topological Properties
Globularity: 0.00509439	Sterimol/B1: 2.37444	Sterimol/B2: 2.37796	Sterimol/B3: 2.55852
Sterimol/B4: 5.64386	Sterimol/L: 21.065

Surface and Volume Properties
Accessible surface: 603.096	Positive charged surface: 344.24	Negative charged surface: 258.856	Volume: 308.375
Hydrophobic surface: 524.247	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

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Ions/Tautomers related molecules: no related molecules available.