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MMsINC code: MMs03198721

Type: Neutral
Formula: C₁₄H₁₀ClNO₄

SMILES:

Clc1ccccc1C(=O)Nc1ccc(O)cc1C(O)=O

InChI:

InChI=1/C14H10ClNO4/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17)7-10(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4607 kcal/mol

Physical Properties
Molecular Weight: 291.69 g/mol	logS: -3.69661	SlogP: 2.9961	Reactive groups: 0

Topological Properties
Globularity: 0.0190343	Sterimol/B1: 2.097	Sterimol/B2: 3.49678	Sterimol/B3: 4.16529
Sterimol/B4: 6.14184	Sterimol/L: 14.7487

Surface and Volume Properties
Accessible surface: 475.139	Positive charged surface: 243.031	Negative charged surface: 232.108	Volume: 247.125
Hydrophobic surface: 321.178	Hydrophilic surface: 153.961

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

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Ions/Tautomers related molecules

MMs03198722
PUBCHEM-ZINC05092800