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MMsINC code: MMs01901931

Type: Neutral
Formula: C₁₈H₁₂N₂O₅

SMILES:

O=C\1N(c2ccccc2)C(=O)NC(=O)/C/1=C\c1ccc(cc1)C(O)=O

InChI:

InChI=1/C18H12N2O5/c21-15-14(10-11-6-8-12(9-7-11)17(23)24)16(22)20(18(25)19-15)13-4-2-1-3-5-13/h1-10H,(H,23,24)(H,19,21,25)/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9789 kcal/mol

Physical Properties
Molecular Weight: 336.303 g/mol	logS: -4.49837	SlogP: 2.0512	Reactive groups: 0

Topological Properties
Globularity: 0.10304	Sterimol/B1: 2.47375	Sterimol/B2: 3.49362	Sterimol/B3: 3.72503
Sterimol/B4: 9.32295	Sterimol/L: 13.4378

Surface and Volume Properties
Accessible surface: 545.657	Positive charged surface: 293.399	Negative charged surface: 252.258	Volume: 293.375
Hydrophobic surface: 328.302	Hydrophilic surface: 217.355

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

MMs01901932
IBS-ZINC04859702