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MMsINC code: MMs02356916

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₂

SMILES:

ClC(C(Cl)c1ccccc1)(C(O)=O)c1ccccc1

InChI:

InChI=1/C15H12Cl2O2/c16-13(11-7-3-1-4-8-11)15(17,14(18)19)12-9-5-2-6-10-12/h1-10,13H,(H,18,19)/t13-,15+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.106 kcal/mol

Physical Properties
Molecular Weight: 295.165 g/mol	logS: -4.65274	SlogP: 4.5924	Reactive groups: 1

Topological Properties
Globularity: 0.0508042	Sterimol/B1: 3.86434	Sterimol/B2: 3.96969	Sterimol/B3: 4.29143
Sterimol/B4: 4.81965	Sterimol/L: 14.2444

Surface and Volume Properties
Accessible surface: 465.867	Positive charged surface: 206.19	Negative charged surface: 259.677	Volume: 258
Hydrophobic surface: 320.955	Hydrophilic surface: 144.912

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02356917
NCID-ZINC01734624