MMsINC Database Search


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MMsINC code: MMs02913638

Type: Neutral
Formula: C₂₄H₁₉N₃O₂

SMILES:

O=C(Nc1ccccc1C(=O)N)c1c2c(nc(-c3ccccc3)c1C)cccc2

InChI:

InChI=1/C24H19N3O2/c1-15-21(24(29)27-20-14-8-6-12-18(20)23(25)28)17-11-5-7-13-19(17)26-22(15)16-9-3-2-4-10-16/h2-14H,1H3,(H2,25,28)(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.674 kcal/mol

Physical Properties
Molecular Weight: 381.435 g/mol	logS: -6.75118	SlogP: 4.56142	Reactive groups: 0

Topological Properties
Globularity: 0.0958359	Sterimol/B1: 2.97225	Sterimol/B2: 3.55728	Sterimol/B3: 4.91064
Sterimol/B4: 9.02499	Sterimol/L: 16.7121

Surface and Volume Properties
Accessible surface: 632.661	Positive charged surface: 345.573	Negative charged surface: 280.304	Volume: 366
Hydrophobic surface: 501.038	Hydrophilic surface: 131.623

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.