MMsINC Database Search


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MMsINC code: MMs01362413

Type: Neutral
Formula: C₂₂H₂₀N₄

SMILES:

n1n(-c2ccc(cc2)C)c(Nc2ccccc2N)cc1-c1ccccc1

InChI:

InChI=1/C22H20N4/c1-16-11-13-18(14-12-16)26-22(24-20-10-6-5-9-19(20)23)15-21(25-26)17-7-3-2-4-8-17/h2-15,24H,23H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.675 kcal/mol

Physical Properties
Molecular Weight: 340.43 g/mol	logS: -6.06035	SlogP: 5.17352	Reactive groups: 0

Topological Properties
Globularity: 0.0398891	Sterimol/B1: 2.75115	Sterimol/B2: 3.44857	Sterimol/B3: 4.22551
Sterimol/B4: 9.65108	Sterimol/L: 16.1207

Surface and Volume Properties
Accessible surface: 623.532	Positive charged surface: 350.191	Negative charged surface: 273.342	Volume: 346.25
Hydrophobic surface: 554.586	Hydrophilic surface: 68.946

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.