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MMsINC code: MMs00694864

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

OC(=O)C(NC(=O)/C(/NC(=O)c1ccccc1)=C\c1ccccc1)C

InChI:

InChI=1/C19H18N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-13H,1H3,(H,20,23)(H,21,22)(H,24,25)/b16-12-/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.803 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.3659	SlogP: 2.0468	Reactive groups: 0

Topological Properties
Globularity: 0.0620119	Sterimol/B1: 2.22549	Sterimol/B2: 3.90528	Sterimol/B3: 4.53523
Sterimol/B4: 9.06687	Sterimol/L: 16.1116

Surface and Volume Properties
Accessible surface: 592.258	Positive charged surface: 319.273	Negative charged surface: 272.985	Volume: 320.125
Hydrophobic surface: 425.63	Hydrophilic surface: 166.628

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00694865
CHEMBRIDGE-ZINC01652527