MMsINC Database Search


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MMsINC code: MMs03807069

Type: Neutral
Formula: C₁₉H₁₉N₃O₃

SMILES:

O=C1CCN(C1)C(=O)C(NC(=O)c1cccnc1)Cc1ccccc1

InChI:

InChI=1/C19H19N3O3/c23-16-8-10-22(13-16)19(25)17(11-14-5-2-1-3-6-14)21-18(24)15-7-4-9-20-12-15/h1-7,9,12,17H,8,10-11,13H2,(H,21,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8987 kcal/mol

Physical Properties
Molecular Weight: 337.379 g/mol	logS: -2.53093	SlogP: 1.22407	Reactive groups: 0

Topological Properties
Globularity: 0.112606	Sterimol/B1: 2.25779	Sterimol/B2: 3.03081	Sterimol/B3: 4.1849
Sterimol/B4: 9.44131	Sterimol/L: 15.2988

Surface and Volume Properties
Accessible surface: 593.058	Positive charged surface: 357.786	Negative charged surface: 235.273	Volume: 324.625
Hydrophobic surface: 463.661	Hydrophilic surface: 129.397

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.