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MMsINC code: MMs00493896

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

O(Cc1ccc(cc1)C(O)=O)c1ccccc1\C=C/1\NC(=O)NC\1=O

InChI:

InChI=1/C18H14N2O5/c21-16-14(19-18(24)20-16)9-13-3-1-2-4-15(13)25-10-11-5-7-12(8-6-11)17(22)23/h1-9H,10H2,(H,22,23)(H2,19,20,21,24)/b14-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1581 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -4.26743	SlogP: 2.4105	Reactive groups: 0

Topological Properties
Globularity: 0.0669226	Sterimol/B1: 3.11093	Sterimol/B2: 3.28548	Sterimol/B3: 3.99926
Sterimol/B4: 9.04105	Sterimol/L: 15.7253

Surface and Volume Properties
Accessible surface: 577.897	Positive charged surface: 332.627	Negative charged surface: 245.27	Volume: 301.125
Hydrophobic surface: 321.553	Hydrophilic surface: 256.344

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00493897
CHEMBLOCK-ZINC00072298