MMsINC Database Search


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MMsINC code: MMs00804092

Type: Neutral
Formula: C₂₂H₁₉ClN₂O₂

SMILES:

Clc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C22H19ClN2O2/c1-25(22(27)17-11-5-7-13-19(17)23)20-14-8-6-12-18(20)21(26)24-15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.836 kcal/mol

Physical Properties
Molecular Weight: 378.859 g/mol	logS: -5.8972	SlogP: 4.813	Reactive groups: 0

Topological Properties
Globularity: 0.0872724	Sterimol/B1: 2.14247	Sterimol/B2: 5.96447	Sterimol/B3: 6.12204
Sterimol/B4: 6.2983	Sterimol/L: 17.2022

Surface and Volume Properties
Accessible surface: 639.627	Positive charged surface: 350.837	Negative charged surface: 288.79	Volume: 362.125
Hydrophobic surface: 600.617	Hydrophilic surface: 39.01

Pharmacophoric Properties
Hydrogen bond donors: 1	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.