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MMsINC code: MMs00540475

Type: Neutral
Formula: C₁₄H₁₂ClNO₄

SMILES:

Clc1ccccc1C(=O)NC(CC(O)=O)c1occc1

InChI:

InChI=1/C14H12ClNO4/c15-10-5-2-1-4-9(10)14(19)16-11(8-13(17)18)12-6-3-7-20-12/h1-7,11H,8H2,(H,16,19)(H,17,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.805 kcal/mol

Physical Properties
Molecular Weight: 293.706 g/mol	logS: -3.66253	SlogP: 2.9743	Reactive groups: 0

Topological Properties
Globularity: 0.149516	Sterimol/B1: 2.41623	Sterimol/B2: 5.47547	Sterimol/B3: 5.75681
Sterimol/B4: 5.88968	Sterimol/L: 12.8139

Surface and Volume Properties
Accessible surface: 508.259	Positive charged surface: 243.781	Negative charged surface: 264.479	Volume: 255.125
Hydrophobic surface: 391.849	Hydrophilic surface: 116.41

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00540476
CHEMBLOCK-ZINC03856192