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MMsINC code: MMs01940320

Type: Neutral
Formula: C₂₃H₁₉N₃O₃

SMILES:

O(C)c1ccccc1N1C(=O)/C(/c2c(cccc2)C1=O)=C/NCc1ncccc1

InChI:

InChI=1/C23H19N3O3/c1-29-21-12-5-4-11-20(21)26-22(27)18-10-3-2-9-17(18)19(23(26)28)15-24-14-16-8-6-7-13-25-16/h2-13,15,24H,14H2,1H3/b19-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.158 kcal/mol

Physical Properties
Molecular Weight: 385.423 g/mol	logS: -4.52075	SlogP: 3.6743	Reactive groups: 0

Topological Properties
Globularity: 0.156767	Sterimol/B1: 2.44179	Sterimol/B2: 3.94389	Sterimol/B3: 7.37455
Sterimol/B4: 10.1932	Sterimol/L: 14.6151

Surface and Volume Properties
Accessible surface: 667.547	Positive charged surface: 412.694	Negative charged surface: 254.853	Volume: 365.375
Hydrophobic surface: 598.379	Hydrophilic surface: 69.168

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

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Ions/Tautomers related molecules

MMs01940321
IBS-ZINC05342700