MMsINC Database Search


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MMsINC code: MMs01395130

Type: Neutral
Formula: C₁₉H₁₄Cl₂O₂

SMILES:

Clc1cccc(Cl)c1CC(OCc1c2c(ccc1)cccc2)=O

InChI:

InChI=1/C19H14Cl2O2/c20-17-9-4-10-18(21)16(17)11-19(22)23-12-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1238 kcal/mol

Physical Properties
Molecular Weight: 345.225 g/mol	logS: -6.94244	SlogP: 5.69887	Reactive groups: 1

Topological Properties
Globularity: 0.0478294	Sterimol/B1: 3.22878	Sterimol/B2: 4.7431	Sterimol/B3: 4.74832
Sterimol/B4: 6.76945	Sterimol/L: 16.9735

Surface and Volume Properties
Accessible surface: 573.749	Positive charged surface: 247.487	Negative charged surface: 315.191	Volume: 310.375
Hydrophobic surface: 550.552	Hydrophilic surface: 23.197

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.