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MMsINC code: MMs03021029

Type: Neutral
Formula: C₂₀H₁₈N₂O₅

SMILES:

O=C1N(c2ccccc2)C(=O)N(CCC)C(=O)C1c1ccccc1C(O)=O

InChI:

InChI=1/C20H18N2O5/c1-2-12-21-17(23)16(14-10-6-7-11-15(14)19(25)26)18(24)22(20(21)27)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,25,26)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5159 kcal/mol

Physical Properties
Molecular Weight: 366.373 g/mol	logS: -4.34198	SlogP: 2.8738	Reactive groups: 0

Topological Properties
Globularity: 0.256982	Sterimol/B1: 1.97656	Sterimol/B2: 4.27666	Sterimol/B3: 4.8854
Sterimol/B4: 10.0021	Sterimol/L: 13.9388

Surface and Volume Properties
Accessible surface: 592.393	Positive charged surface: 335.058	Negative charged surface: 257.335	Volume: 332.875
Hydrophobic surface: 419.4	Hydrophilic surface: 172.993

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs03021030
PUBCHEM-ZINC03608708