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MMsINC code: MMs02865533

Type: Neutral
Formula: C₁₈H₁₈N₂O₅

SMILES:

O(Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccccc1C(=O)N(C)C

InChI:

InChI=1/C18H18N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,19,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.4245 kcal/mol

Physical Properties
Molecular Weight: 342.351 g/mol	logS: -3.44123	SlogP: 3.1017	Reactive groups: 0

Topological Properties
Globularity: 0.0437789	Sterimol/B1: 2.01414	Sterimol/B2: 3.42912	Sterimol/B3: 4.02424
Sterimol/B4: 9.02277	Sterimol/L: 17.5943

Surface and Volume Properties
Accessible surface: 619.137	Positive charged surface: 399.482	Negative charged surface: 219.655	Volume: 317.375
Hydrophobic surface: 441.299	Hydrophilic surface: 177.838

Pharmacophoric Properties
Hydrogen bond donors: 3	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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Ions/Tautomers related molecules

MMs02865534
PUBCHEM-ZINC02047722