MMsINC Database Search


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MMsINC code: MMs00114308

Type: Neutral
Formula: C₂₀H₁₉N₃O₂

SMILES:

O(C)c1ccc(NC(=O)Nc2ccc(cc2)Cc2ccncc2)cc1

InChI:

InChI=1/C20H19N3O2/c1-25-19-8-6-18(7-9-19)23-20(24)22-17-4-2-15(3-5-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.664 kcal/mol

Physical Properties
Molecular Weight: 333.391 g/mol	logS: -4.16067	SlogP: 4.32497	Reactive groups: 0

Topological Properties
Globularity: 0.0435412	Sterimol/B1: 3.20668	Sterimol/B2: 3.38918	Sterimol/B3: 3.98028
Sterimol/B4: 5.72822	Sterimol/L: 20.0851

Surface and Volume Properties
Accessible surface: 609.868	Positive charged surface: 430.009	Negative charged surface: 179.858	Volume: 328.75
Hydrophobic surface: 523.545	Hydrophilic surface: 86.323

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.