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MMsINC code: MMs02261894

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1N(C(Cc2ccccc2)C(O)=O)C(=O)NC1Cc1ccccc1

InChI:

InChI=1/C19H18N2O4/c22-17-15(11-13-7-3-1-4-8-13)20-19(25)21(17)16(18(23)24)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,20,25)(H,23,24)/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1066 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.68907	SlogP: 1.84534	Reactive groups: 0

Topological Properties
Globularity: 0.120603	Sterimol/B1: 3.4782	Sterimol/B2: 4.58901	Sterimol/B3: 5.44597
Sterimol/B4: 6.08461	Sterimol/L: 14.4302

Surface and Volume Properties
Accessible surface: 550.023	Positive charged surface: 297.381	Negative charged surface: 252.642	Volume: 318.25
Hydrophobic surface: 391.592	Hydrophilic surface: 158.431

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02261895
NCID-ZINC01611205