MMsINC Database Search


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MMsINC code: MMs02111708

Type: Neutral
Formula: C₂₂H₁₆Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1COc1nc(nc2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C22H16Cl2N2O/c23-18-10-6-11-19(24)17(18)14-27-22-16-9-4-5-12-20(16)25-21(26-22)13-15-7-2-1-3-8-15/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7296 kcal/mol

Physical Properties
Molecular Weight: 395.289 g/mol	logS: -7.36729	SlogP: 6.37277	Reactive groups: 0

Topological Properties
Globularity: 0.110747	Sterimol/B1: 2.80157	Sterimol/B2: 3.01679	Sterimol/B3: 5.93059
Sterimol/B4: 10.0953	Sterimol/L: 16.2622

Surface and Volume Properties
Accessible surface: 655.094	Positive charged surface: 313.534	Negative charged surface: 336.025	Volume: 358.125
Hydrophobic surface: 626.325	Hydrophilic surface: 28.769

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.