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MMsINC code: MMs02544250

Type: Neutral
Formula: C₁₅H₁₃ClO₃

SMILES:

Clc1ccc(cc1OCc1cc(ccc1)C(O)=O)C

InChI:

InChI=1/C15H13ClO3/c1-10-5-6-13(16)14(7-10)19-9-11-3-2-4-12(8-11)15(17)18/h2-8H,9H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8835 kcal/mol

Physical Properties
Molecular Weight: 276.719 g/mol	logS: -4.38077	SlogP: 4.19202	Reactive groups: 0

Topological Properties
Globularity: 0.107851	Sterimol/B1: 2.39339	Sterimol/B2: 3.53964	Sterimol/B3: 5.10867
Sterimol/B4: 6.85415	Sterimol/L: 15.0647

Surface and Volume Properties
Accessible surface: 513.201	Positive charged surface: 257.381	Negative charged surface: 255.821	Volume: 255.625
Hydrophobic surface: 411.428	Hydrophilic surface: 101.773

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

MMs02544251
OAKWOOD-ZINC02521427