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MMsINC code: MMs01159673

Type: Neutral
Formula: C₁₉H₂₁Cl₂N₃O₂

SMILES:

Clc1cc(cc(Cl)c1)C(=O)Nc1cc(C(=O)NCCC)c(N(C)C)cc1

InChI:

InChI=1/C19H21Cl2N3O2/c1-4-7-22-19(26)16-11-15(5-6-17(16)24(2)3)23-18(25)12-8-13(20)10-14(21)9-12/h5-6,8-11H,4,7H2,1-3H3,(H,22,26)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.486 kcal/mol

Physical Properties
Molecular Weight: 394.302 g/mol	logS: -5.42597	SlogP: 4.4515	Reactive groups: 0

Topological Properties
Globularity: 0.0425718	Sterimol/B1: 2.55885	Sterimol/B2: 3.27752	Sterimol/B3: 3.8603
Sterimol/B4: 10.209	Sterimol/L: 17.5393

Surface and Volume Properties
Accessible surface: 673.482	Positive charged surface: 390.246	Negative charged surface: 283.235	Volume: 361.875
Hydrophobic surface: 582.15	Hydrophilic surface: 91.332

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.