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MMsINC code: MMs00525044

Type: Neutral
Formula: C₂₁H₁₄N₂O₅

SMILES:

O(c1ccc(N)cc1)c1cc2c(cc1)C(=O)N(C2=O)c1cc(ccc1)C(O)=O

InChI:

InChI=1/C21H14N2O5/c22-13-4-6-15(7-5-13)28-16-8-9-17-18(11-16)20(25)23(19(17)24)14-3-1-2-12(10-14)21(26)27/h1-11H,22H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.271 kcal/mol

Physical Properties
Molecular Weight: 374.352 g/mol	logS: -5.23158	SlogP: 3.5599	Reactive groups: 0

Topological Properties
Globularity: 0.0477109	Sterimol/B1: 2.45077	Sterimol/B2: 3.10675	Sterimol/B3: 4.53951
Sterimol/B4: 6.28736	Sterimol/L: 19.6452

Surface and Volume Properties
Accessible surface: 608.783	Positive charged surface: 333.888	Negative charged surface: 274.895	Volume: 330.625
Hydrophobic surface: 379.467	Hydrophilic surface: 229.316

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00525045
CHEMBLOCK-ZINC01435573