MMsINC Database Search


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MMsINC code: MMs01363772

Type: Neutral
Formula: C₂₂H₁₈Cl₂N₂O₂

SMILES:

Clc1ccccc1CNCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1

InChI:

InChI=1/C22H18Cl2N2O2/c23-17-10-11-20(18(12-17)22(28)15-6-2-1-3-7-15)26-21(27)14-25-13-16-8-4-5-9-19(16)24/h1-12,25H,13-14H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.491 kcal/mol

Physical Properties
Molecular Weight: 413.304 g/mol	logS: -6.6632	SlogP: 5.2191	Reactive groups: 0

Topological Properties
Globularity: 0.0808294	Sterimol/B1: 2.46503	Sterimol/B2: 2.91073	Sterimol/B3: 4.73786
Sterimol/B4: 9.85174	Sterimol/L: 16.9819

Surface and Volume Properties
Accessible surface: 669.216	Positive charged surface: 312.47	Negative charged surface: 356.746	Volume: 374.25
Hydrophobic surface: 592.59	Hydrophilic surface: 76.626

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.