MMsINC Database Search


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MMsINC code: MMs00440339

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(C)c1ccccc1CC1(CCc2ccncc2)C(=O)NC(=O)NC1=O

InChI:

InChI=1/C19H19N3O4/c1-26-15-5-3-2-4-14(15)12-19(9-6-13-7-10-20-11-8-13)16(23)21-18(25)22-17(19)24/h2-5,7-8,10-11H,6,9,12H2,1H3,(H2,21,22,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.5841 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -3.12503	SlogP: 1.61784	Reactive groups: 0

Topological Properties
Globularity: 0.118298	Sterimol/B1: 2.43798	Sterimol/B2: 3.25243	Sterimol/B3: 5.64223
Sterimol/B4: 7.37618	Sterimol/L: 15.7223

Surface and Volume Properties
Accessible surface: 556.034	Positive charged surface: 369.431	Negative charged surface: 186.603	Volume: 322.75
Hydrophobic surface: 417.138	Hydrophilic surface: 138.896

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.