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MMsINC code: MMs01815285

Type: Tautomer
Formula: C₁₉H₁₈N₂O₆

SMILES:

O(C(=O)c1ccccc1NC(=O)CC(=O)Nc1ccccc1C(OC)=O)C

InChI:

InChI=1/C19H18N2O6/c1-26-18(24)12-7-3-5-9-14(12)20-16(22)11-17(23)21-15-10-6-4-8-13(15)19(25)27-2/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.309 kcal/mol

Physical Properties
Molecular Weight: 370.361 g/mol	logS: -4.22878	SlogP: 2.2271	Reactive groups: 0

Topological Properties
Globularity: 0.0157901	Sterimol/B1: 1.969	Sterimol/B2: 2.14003	Sterimol/B3: 3.8389
Sterimol/B4: 8.92181	Sterimol/L: 16.893

Surface and Volume Properties
Accessible surface: 645.489	Positive charged surface: 443.867	Negative charged surface: 201.622	Volume: 334.75
Hydrophobic surface: 525.011	Hydrophilic surface: 120.478

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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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Parent related molecule:

MMs01815283
IBS-ZINC02250688