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MMsINC code: MMs02715955

Type: Neutral
Formula: C₂₄H₁₇N₃O₂

SMILES:

OC(=O)c1ccccc1-c1ccc(cc1)Cn1nnc2c1cc1c(c2)cccc1

InChI:

InChI=1/C24H17N3O2/c28-24(29)21-8-4-3-7-20(21)17-11-9-16(10-12-17)15-27-23-14-19-6-2-1-5-18(19)13-22(23)25-26-27/h1-14H,15H2,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.993 kcal/mol

Physical Properties
Molecular Weight: 379.419 g/mol	logS: -7.09223	SlogP: 5.2644	Reactive groups: 0

Topological Properties
Globularity: 0.0824481	Sterimol/B1: 2.91926	Sterimol/B2: 3.91558	Sterimol/B3: 4.19624
Sterimol/B4: 7.62039	Sterimol/L: 17.2387

Surface and Volume Properties
Accessible surface: 629.789	Positive charged surface: 329.429	Negative charged surface: 287.063	Volume: 360.125
Hydrophobic surface: 488.895	Hydrophilic surface: 140.894

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02715956
PUBCHEM-ZINC00629141