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MMsINC code: MMs02993853

Type: Neutral
Formula: C₁₄H₉ClO₃

SMILES:

Clc1cccc(C(O)=O)c1C(=O)c1ccccc1

InChI:

InChI=1/C14H9ClO3/c15-11-8-4-7-10(14(17)18)12(11)13(16)9-5-2-1-3-6-9/h1-8H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4183 kcal/mol

Physical Properties
Molecular Weight: 260.676 g/mol	logS: -4.16138	SlogP: 3.2692	Reactive groups: 0

Topological Properties
Globularity: 0.183424	Sterimol/B1: 3.13698	Sterimol/B2: 4.68886	Sterimol/B3: 5.22
Sterimol/B4: 5.5058	Sterimol/L: 12.2724

Surface and Volume Properties
Accessible surface: 444.495	Positive charged surface: 202.885	Negative charged surface: 241.61	Volume: 230.5
Hydrophobic surface: 337.915	Hydrophilic surface: 106.58

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02993854
PUBCHEM-ZINC03101751