MMsINC Database Search


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MMsINC code: MMs00118532

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O(C)c1ccccc1\C=N\c1ccc(\N=C\c2ccccc2OC)cc1

InChI:

InChI=1/C22H20N2O2/c1-25-21-9-5-3-7-17(21)15-23-19-11-13-20(14-12-19)24-16-18-8-4-6-10-22(18)26-2/h3-16H,1-2H3/b23-15+,24-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.013 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -5.33512	SlogP: 5.205	Reactive groups: 0

Topological Properties
Globularity: 0.0569784	Sterimol/B1: 2.12917	Sterimol/B2: 2.1472	Sterimol/B3: 5.54648
Sterimol/B4: 5.98378	Sterimol/L: 20.4619

Surface and Volume Properties
Accessible surface: 661.196	Positive charged surface: 457.706	Negative charged surface: 203.489	Volume: 349.875
Hydrophobic surface: 629.609	Hydrophilic surface: 31.587

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.