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MMsINC code: MMs00382065

Type: Neutral
Formula: C₂₃H₂₀Cl₂N₂O

SMILES:

Clc1cc(Cl)ccc1NC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C23H20Cl2N2O/c24-20-9-10-22(21(25)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)=104.542 kcal/mol

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

Topological Properties
Globularity: 0.0468682	Sterimol/B1: 2.32428	Sterimol/B2: 2.98029	Sterimol/B3: 4.64419
Sterimol/B4: 7.59405	Sterimol/L: 19.7554

Surface and Volume Properties
Accessible surface: 680.534	Positive charged surface: 341.714	Negative charged surface: 338.82	Volume: 380.5
Hydrophobic surface: 637.6	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

MMs00382066
ASINEX-ZINC04851629