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MMsINC code: MMs00526392

Type: Ionized
Formula: C₂₃H₁₃N₂O₄-

SMILES:

O=C1N(C(=O)c2c1cc(cc2)C(=O)[O-])c1cc(ccc1)-c1cc2n(c1)C=CC=C2

InChI:

InChI=1/C23H14N2O4/c26-21-19-8-7-15(23(28)29)12-20(19)22(27)25(21)18-6-3-4-14(10-18)16-11-17-5-1-2-9-24(17)13-16/h1-13H,(H,28,29)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9723 kcal/mol

Physical Properties
Molecular Weight: 381.367 g/mol	logS: -5.80576	SlogP: 2.8167	Reactive groups: 0

Topological Properties
Globularity: 0.00990953	Sterimol/B1: 2.39038	Sterimol/B2: 2.63306	Sterimol/B3: 2.97406
Sterimol/B4: 8.18175	Sterimol/L: 19.9678

Surface and Volume Properties
Accessible surface: 613.651	Positive charged surface: 274.456	Negative charged surface: 339.195	Volume: 346
Hydrophobic surface: 441.073	Hydrophilic surface: 172.578

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs00526391
CHEMBLOCK-ZINC01440360