MMsINC Database Search


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MMsINC code: MMs00664046

Type: Neutral
Formula: C₂₂H₁₉ClN₂O₂

SMILES:

Clc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C22H19ClN2O2/c1-15(16-9-3-2-4-10-16)24-22(27)18-12-6-8-14-20(18)25-21(26)17-11-5-7-13-19(17)23/h2-15H,1H3,(H,24,27)(H,25,26)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.485 kcal/mol

Physical Properties
Molecular Weight: 378.859 g/mol	logS: -6.3304	SlogP: 5.1788	Reactive groups: 0

Topological Properties
Globularity: 0.0440695	Sterimol/B1: 2.1704	Sterimol/B2: 3.521	Sterimol/B3: 4.87741
Sterimol/B4: 8.20869	Sterimol/L: 18.1664

Surface and Volume Properties
Accessible surface: 648.223	Positive charged surface: 328.873	Negative charged surface: 319.349	Volume: 357.375
Hydrophobic surface: 586.993	Hydrophilic surface: 61.23

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.