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MMsINC code: MMs00536226

Type: Neutral
Formula: C₁₉H₁₉N₃O₄

SMILES:

O(C(=O)c1ccc(cc1)\C=N\NC(=O)C(=O)NC(C)c1ccccc1)C

InChI:

InChI=1/C19H19N3O4/c1-13(15-6-4-3-5-7-15)21-17(23)18(24)22-20-12-14-8-10-16(11-9-14)19(25)26-2/h3-13H,1-2H3,(H,21,23)(H,22,24)/b20-12+/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.692 kcal/mol

Physical Properties
Molecular Weight: 353.378 g/mol	logS: -4.41966	SlogP: 1.8962	Reactive groups: 0

Topological Properties
Globularity: 0.0193467	Sterimol/B1: 2.24777	Sterimol/B2: 3.04429	Sterimol/B3: 5.03317
Sterimol/B4: 6.43835	Sterimol/L: 21.3016

Surface and Volume Properties
Accessible surface: 669.025	Positive charged surface: 409.921	Negative charged surface: 259.104	Volume: 336.75
Hydrophobic surface: 480.407	Hydrophilic surface: 188.618

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00536227
CHEMBLOCK-ZINC03092251