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MMsINC code: MMs01996111

Type: Neutral
Formula: C₂₀H₁₄ClNO₄

SMILES:

Clc1cc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)c(O)cc1

InChI:

InChI=1/C20H14ClNO4/c21-12-9-10-18(23)17(11-12)22-19(24)15-7-3-1-5-13(15)14-6-2-4-8-16(14)20(25)26/h1-11,23H,(H,22,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.113 kcal/mol

Physical Properties
Molecular Weight: 367.788 g/mol	logS: -6.12299	SlogP: 4.6631	Reactive groups: 0

Topological Properties
Globularity: 0.168036	Sterimol/B1: 3.18492	Sterimol/B2: 3.49725	Sterimol/B3: 5.28779
Sterimol/B4: 8.95537	Sterimol/L: 13.1907

Surface and Volume Properties
Accessible surface: 581.578	Positive charged surface: 300.913	Negative charged surface: 279.279	Volume: 323
Hydrophobic surface: 458.961	Hydrophilic surface: 122.617

Pharmacophoric Properties
Hydrogen bond donors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs01996112
IFLAB-ZINC02700792