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MMsINC code: MMs00507966

Type: Neutral
Formula: C₂₀H₁₈N₂O₅

SMILES:

O(C)c1cc2c(ncc(C(OCC)=O)c2Nc2ccccc2C(O)=O)cc1

InChI:

InChI=1/C20H18N2O5/c1-3-27-20(25)15-11-21-16-9-8-12(26-2)10-14(16)18(15)22-17-7-5-4-6-13(17)19(23)24/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.542 kcal/mol

Physical Properties
Molecular Weight: 366.373 g/mol	logS: -4.32246	SlogP: 3.8619	Reactive groups: 0

Topological Properties
Globularity: 0.11119	Sterimol/B1: 3.94519	Sterimol/B2: 5.13498	Sterimol/B3: 5.14313
Sterimol/B4: 6.01926	Sterimol/L: 16.7608

Surface and Volume Properties
Accessible surface: 592.564	Positive charged surface: 425.219	Negative charged surface: 163.997	Volume: 333.375
Hydrophobic surface: 448.487	Hydrophilic surface: 144.077

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00507967
CHEMBLOCK-ZINC00716961