MMsINC Database Search


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MMsINC code: MMs01541390

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(C)c1ccc(cc1)CNC(=O)C(OC(=O)c1nc2n(c1)C=CC=C2)C

InChI:

InChI=1/C19H19N3O4/c1-13(18(23)20-11-14-6-8-15(25-2)9-7-14)26-19(24)16-12-22-10-4-3-5-17(22)21-16/h3-10,12-13H,11H2,1-2H3,(H,20,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.216 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -3.46843	SlogP: 2.5173	Reactive groups: 0

Topological Properties
Globularity: 0.0403854	Sterimol/B1: 2.01602	Sterimol/B2: 3.91747	Sterimol/B3: 4.08349
Sterimol/B4: 5.85704	Sterimol/L: 22.1543

Surface and Volume Properties
Accessible surface: 650.157	Positive charged surface: 397.832	Negative charged surface: 252.325	Volume: 335.625
Hydrophobic surface: 500.357	Hydrophilic surface: 149.8

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.