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MMsINC code: MMs00647366

Type: Neutral
Formula: C₂₂H₁₅Cl₂N₃O₂

SMILES:

Clc1cc(Cl)ccc1-c1nc(Nc2cc3OCCOc3cc2)c2c(n1)cccc2

InChI:

InChI=1/C22H15Cl2N3O2/c23-13-5-7-15(17(24)11-13)21-26-18-4-2-1-3-16(18)22(27-21)25-14-6-8-19-20(12-14)29-10-9-28-19/h1-8,11-12H,9-10H2,(H,25,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.671 kcal/mol

Physical Properties
Molecular Weight: 424.287 g/mol	logS: -8.46984	SlogP: 6.1184	Reactive groups: 0

Topological Properties
Globularity: 0.0362471	Sterimol/B1: 2.56171	Sterimol/B2: 3.23737	Sterimol/B3: 3.46803
Sterimol/B4: 12.7131	Sterimol/L: 15.5955

Surface and Volume Properties
Accessible surface: 629.583	Positive charged surface: 345.037	Negative charged surface: 273.587	Volume: 366
Hydrophobic surface: 568.65	Hydrophilic surface: 60.933

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.