MMsINC Database Search


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MMsINC code: MMs02242230

Type: Neutral
Formula: C₂₃H₁₈N₄

SMILES:

n1c2c(cccc2)c(Nc2ccc(cc2)C)c2c1n(nc2)-c1ccccc1

InChI:

InChI=1/C23H18N4/c1-16-11-13-17(14-12-16)25-22-19-9-5-6-10-21(19)26-23-20(22)15-24-27(23)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.571 kcal/mol

Physical Properties
Molecular Weight: 350.425 g/mol	logS: -7.30531	SlogP: 5.62572	Reactive groups: 0

Topological Properties
Globularity: 0.108532	Sterimol/B1: 2.27893	Sterimol/B2: 2.40056	Sterimol/B3: 5.66322
Sterimol/B4: 8.73068	Sterimol/L: 17.0577

Surface and Volume Properties
Accessible surface: 618.106	Positive charged surface: 358.548	Negative charged surface: 253.354	Volume: 348.5
Hydrophobic surface: 577.467	Hydrophilic surface: 40.639

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.