MMsINC Database Search


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MMsINC code: MMs00517410

Type: Neutral
Formula: C₂₂H₁₉ClF₂N₂O

SMILES:

Clc1cc(F)c(F)cc1NC(=O)NCCC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H19ClF2N2O/c23-18-13-19(24)20(25)14-21(18)27-22(28)26-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2,(H2,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8436 kcal/mol

Physical Properties
Molecular Weight: 400.856 g/mol	logS: -6.42604	SlogP: 5.9619	Reactive groups: 0

Topological Properties
Globularity: 0.0646308	Sterimol/B1: 2.51103	Sterimol/B2: 3.37077	Sterimol/B3: 4.42162
Sterimol/B4: 9.10812	Sterimol/L: 18.5702

Surface and Volume Properties
Accessible surface: 664.068	Positive charged surface: 333.469	Negative charged surface: 330.599	Volume: 363.125
Hydrophobic surface: 605.221	Hydrophilic surface: 58.847

Pharmacophoric Properties
Hydrogen bond donors: 2	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.