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MMsINC code: MMs03200294

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

OC(=O)c1cc(NC(=O)/C(/NC(=O)c2ccccc2)=C\c2ccccc2)ccc1

InChI:

InChI=1/C23H18N2O4/c26-21(17-10-5-2-6-11-17)25-20(14-16-8-3-1-4-9-16)22(27)24-19-13-7-12-18(15-19)23(28)29/h1-15H,(H,24,27)(H,25,26)(H,28,29)/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.45 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -5.83611	SlogP: 3.7944	Reactive groups: 0

Topological Properties
Globularity: 0.0792067	Sterimol/B1: 2.56358	Sterimol/B2: 3.70257	Sterimol/B3: 4.1074
Sterimol/B4: 10.9965	Sterimol/L: 15.6403

Surface and Volume Properties
Accessible surface: 645.236	Positive charged surface: 346.417	Negative charged surface: 298.819	Volume: 362.25
Hydrophobic surface: 493.154	Hydrophilic surface: 152.082

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03200295
PUBCHEM-ZINC05101805