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MMsINC code: MMs02853610

Type: Neutral
Formula: C₁₄H₁₁ClO₃

SMILES:

Clc1ccccc1OC(C(O)=O)c1ccccc1

InChI:

InChI=1/C14H11ClO3/c15-11-8-4-5-9-12(11)18-13(14(16)17)10-6-2-1-3-7-10/h1-9,13H,(H,16,17)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.958 kcal/mol

Physical Properties
Molecular Weight: 262.692 g/mol	logS: -3.93329	SlogP: 3.6402	Reactive groups: 0

Topological Properties
Globularity: 0.110193	Sterimol/B1: 2.95862	Sterimol/B2: 4.38148	Sterimol/B3: 4.58839
Sterimol/B4: 5.19672	Sterimol/L: 13.9016

Surface and Volume Properties
Accessible surface: 471.547	Positive charged surface: 218.333	Negative charged surface: 253.214	Volume: 238.375
Hydrophobic surface: 392.533	Hydrophilic surface: 79.014

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02853611
PUBCHEM-ZINC02017922