MMsINC Database Search


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MMsINC code: MMs00780518

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O(C)c1cc(ccc1OC)/C(=N\OC(=O)c1cc2c(cc1)cccc2)/N

InChI:

InChI=1/C20H18N2O4/c1-24-17-10-9-15(12-18(17)25-2)19(21)22-26-20(23)16-8-7-13-5-3-4-6-14(13)11-16/h3-12H,1-2H3,(H2,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.731 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -5.90687	SlogP: 3.3343	Reactive groups: 0

Topological Properties
Globularity: 0.00261054	Sterimol/B1: 1.969	Sterimol/B2: 2.37388	Sterimol/B3: 2.3838
Sterimol/B4: 7.59092	Sterimol/L: 20.0181

Surface and Volume Properties
Accessible surface: 629.809	Positive charged surface: 394.457	Negative charged surface: 224.281	Volume: 332
Hydrophobic surface: 511.86	Hydrophilic surface: 117.949

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.