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MMsINC code: MMs01247521

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₂

SMILES:

Clc1ccccc1C(C(O)=O)c1ccc(Cl)cc1

InChI:

InChI=1/C14H10Cl2O2/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13H,(H,17,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6875 kcal/mol

Physical Properties
Molecular Weight: 281.138 g/mol	logS: -4.52679	SlogP: 4.2099	Reactive groups: 0

Topological Properties
Globularity: 0.312699	Sterimol/B1: 2.45434	Sterimol/B2: 3.32244	Sterimol/B3: 6.07767
Sterimol/B4: 6.15332	Sterimol/L: 12.7992

Surface and Volume Properties
Accessible surface: 463.669	Positive charged surface: 188.52	Negative charged surface: 275.148	Volume: 242.375
Hydrophobic surface: 381.615	Hydrophilic surface: 82.054

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

MMs01247522
ENAMINE-ZINC02009869