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MMsINC code: MMs02904519

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₃

SMILES:

Clc1ccccc1COc1ccc(Cl)cc1C(O)=O

InChI:

InChI=1/C14H10Cl2O3/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5943 kcal/mol

Physical Properties
Molecular Weight: 297.137 g/mol	logS: -4.64114	SlogP: 4.537	Reactive groups: 0

Topological Properties
Globularity: 0.00509615	Sterimol/B1: 2.36825	Sterimol/B2: 2.38184	Sterimol/B3: 3.8604
Sterimol/B4: 6.50374	Sterimol/L: 15.1097

Surface and Volume Properties
Accessible surface: 486.163	Positive charged surface: 203.507	Negative charged surface: 282.656	Volume: 253.875
Hydrophobic surface: 400.594	Hydrophilic surface: 85.569

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

MMs02904520
PUBCHEM-ZINC02584144