MMsINC Database Search


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MMsINC code: MMs00975648

Type: Neutral
Formula: C₂₄H₁₉N₃

SMILES:

n1n(c2c(cnc3c2cccc3)c1-c1cc(C)c(cc1)C)-c1ccccc1

InChI:

InChI=1/C24H19N3/c1-16-12-13-18(14-17(16)2)23-21-15-25-22-11-7-6-10-20(22)24(21)27(26-23)19-8-4-3-5-9-19/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.511 kcal/mol

Physical Properties
Molecular Weight: 349.437 g/mol	logS: -7.31703	SlogP: 5.85754	Reactive groups: 0

Topological Properties
Globularity: 0.0368634	Sterimol/B1: 3.01242	Sterimol/B2: 3.71443	Sterimol/B3: 5.74171
Sterimol/B4: 6.57825	Sterimol/L: 15.8949

Surface and Volume Properties
Accessible surface: 616.867	Positive charged surface: 342.518	Negative charged surface: 264.769	Volume: 352.875
Hydrophobic surface: 579.513	Hydrophilic surface: 37.354

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: 0

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Ions/Tautomers related molecules: no related molecules available.