MMsINC Database Search


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MMsINC code: MMs01081698

Type: Neutral
Formula: C₁₉H₁₇Cl₂F₃N₂O

SMILES:

Clc1ccc(Cl)cc1C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F

InChI:

InChI=1/C19H17Cl2F3N2O/c20-13-5-6-15(21)14(11-13)18(27)25-16-10-12(19(22,23)24)4-7-17(16)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.928 kcal/mol

Physical Properties
Molecular Weight: 417.258 g/mol	logS: -6.56156	SlogP: 6.5663	Reactive groups: 0

Topological Properties
Globularity: 0.0927621	Sterimol/B1: 3.44407	Sterimol/B2: 3.91677	Sterimol/B3: 4.14987
Sterimol/B4: 8.6493	Sterimol/L: 13.7713

Surface and Volume Properties
Accessible surface: 611.864	Positive charged surface: 271.966	Negative charged surface: 339.898	Volume: 345
Hydrophobic surface: 480.403	Hydrophilic surface: 131.461

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.