MMsINC Database Search


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MMsINC code: MMs03256093

Type: Neutral
Formula: C₂₃H₂₀N₄

SMILES:

n1ccccc1/C(=N\Nc1nc2c(cc(cc2)C)c(c1)C)/c1ccccc1

InChI:

InChI=1/C23H20N4/c1-16-11-12-20-19(14-16)17(2)15-22(25-20)26-27-23(18-8-4-3-5-9-18)21-10-6-7-13-24-21/h3-15H,1-2H3,(H,25,26)/b27-23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.126 kcal/mol

Physical Properties
Molecular Weight: 352.441 g/mol	logS: -5.81603	SlogP: 5.11114	Reactive groups: 0

Topological Properties
Globularity: 0.0181765	Sterimol/B1: 3.1399	Sterimol/B2: 3.23166	Sterimol/B3: 4.9406
Sterimol/B4: 7.40812	Sterimol/L: 17.1764

Surface and Volume Properties
Accessible surface: 644.855	Positive charged surface: 376.245	Negative charged surface: 263.154	Volume: 357.375
Hydrophobic surface: 596.793	Hydrophilic surface: 48.062

Pharmacophoric Properties
Hydrogen bond donors: 1	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.