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MMsINC code: MMs00482583

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

OC(=O)C(NC(=O)CNC(=O)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C18H18N2O4/c21-16(12-19-17(22)14-9-5-2-6-10-14)20-15(18(23)24)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,22)(H,20,21)(H,23,24)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0865 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -3.52879	SlogP: 1.22847	Reactive groups: 0

Topological Properties
Globularity: 0.0904112	Sterimol/B1: 2.53287	Sterimol/B2: 3.42874	Sterimol/B3: 4.51338
Sterimol/B4: 9.2446	Sterimol/L: 15.9337

Surface and Volume Properties
Accessible surface: 591.074	Positive charged surface: 329.02	Negative charged surface: 262.054	Volume: 308.375
Hydrophobic surface: 426.07	Hydrophilic surface: 165.004

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

MMs00482584
BACHEM-ZINC01730671