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MMsINC code: MMs02942187

Type: Neutral
Formula: C₂₃H₂₀Cl₂N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C23H20Cl2N2O/c24-20-9-10-21(25)22(13-20)26-23(28)18-7-5-16(6-8-18)14-27-12-11-17-3-1-2-4-19(17)15-27/h1-10,13H,11-12,14-15H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.064 kcal/mol

Physical Properties
Molecular Weight: 411.332 g/mol	logS: -6.64667	SlogP: 6.33677	Reactive groups: 0

Topological Properties
Globularity: 0.0476561	Sterimol/B1: 2.70365	Sterimol/B2: 2.99871	Sterimol/B3: 4.68703
Sterimol/B4: 7.55304	Sterimol/L: 18.7901

Surface and Volume Properties
Accessible surface: 682.088	Positive charged surface: 342.288	Negative charged surface: 339.801	Volume: 381.25
Hydrophobic surface: 639.154	Hydrophilic surface: 42.934

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02942188
PUBCHEM-ZINC02857853