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MMsINC code: MMs02904513

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₃

SMILES:

Clc1cc(C(O)=O)c(OCc2ccc(Cl)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4061 kcal/mol

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

Topological Properties
Globularity: 0.0807937	Sterimol/B1: 2.4201	Sterimol/B2: 4.00602	Sterimol/B3: 4.81853
Sterimol/B4: 5.75923	Sterimol/L: 16.3958

Surface and Volume Properties
Accessible surface: 502.602	Positive charged surface: 215.381	Negative charged surface: 287.221	Volume: 250.875
Hydrophobic surface: 409.063	Hydrophilic surface: 93.539

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

MMs02904514
PUBCHEM-ZINC02584137