MMsINC Database Search


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MMsINC code: MMs00513769

Type: Neutral
Formula: C₂₂H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1Cn1c2c(nc1COc1ccccc1OC)cccc2

InChI:

InChI=1/C22H18Cl2N2O2/c1-27-20-8-4-5-9-21(20)28-14-22-25-18-6-2-3-7-19(18)26(22)13-15-10-11-16(23)12-17(15)24/h2-12H,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.098 kcal/mol

Physical Properties
Molecular Weight: 413.304 g/mol	logS: -6.63555	SlogP: 6.5118	Reactive groups: 0

Topological Properties
Globularity: 0.113754	Sterimol/B1: 2.3245	Sterimol/B2: 3.09923	Sterimol/B3: 5.58507
Sterimol/B4: 10.2898	Sterimol/L: 14.8535

Surface and Volume Properties
Accessible surface: 654.537	Positive charged surface: 340.867	Negative charged surface: 313.671	Volume: 372.875
Hydrophobic surface: 600.914	Hydrophilic surface: 53.623

Pharmacophoric Properties
Hydrogen bond donors: 0	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.