MMsINC Database Search


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MMsINC code: MMs00728152

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCCCCNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C18H18F2N2O2/c19-15-7-3-13(4-8-15)17(23)21-11-1-2-12-22-18(24)14-5-9-16(20)10-6-14/h3-10H,1-2,11-12H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2946 kcal/mol

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

Topological Properties
Globularity: 0.00505865	Sterimol/B1: 2.3745	Sterimol/B2: 2.37675	Sterimol/B3: 2.81669
Sterimol/B4: 5.31903	Sterimol/L: 21.5949

Surface and Volume Properties
Accessible surface: 602.18	Positive charged surface: 334.539	Negative charged surface: 267.641	Volume: 309.875
Hydrophobic surface: 520.292	Hydrophilic surface: 81.888

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.