MMsINC Database Search


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MMsINC code: MMs00906655

Type: Neutral
Formula: C₂₃H₁₉N₃O₂

SMILES:

O(C)c1ccccc1CNC(=O)c1cc(nc2c1cccc2)-c1ncccc1

InChI:

InChI=1/C23H19N3O2/c1-28-22-12-5-2-8-16(22)15-25-23(27)18-14-21(20-11-6-7-13-24-20)26-19-10-4-3-9-17(18)19/h2-14H,15H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.893 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -5.04367	SlogP: 4.5018	Reactive groups: 0

Topological Properties
Globularity: 0.106564	Sterimol/B1: 2.42597	Sterimol/B2: 6.9107	Sterimol/B3: 7.18641
Sterimol/B4: 7.29375	Sterimol/L: 15.3497

Surface and Volume Properties
Accessible surface: 671.471	Positive charged surface: 425.106	Negative charged surface: 240.041	Volume: 359.625
Hydrophobic surface: 596.743	Hydrophilic surface: 74.728

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: no related molecules available.