MMsINC Database Search


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MMsINC code: MMs01173082

Type: Neutral
Formula: C₁₉H₁₉Cl₂NO₂

SMILES:

Clc1ccccc1C(=O)c1cc(Cl)ccc1NC(=O)CCCCC

InChI:

InChI=1/C19H19Cl2NO2/c1-2-3-4-9-18(23)22-17-11-10-13(20)12-15(17)19(24)14-7-5-6-8-16(14)21/h5-8,10-12H,2-4,9H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6 kcal/mol

Physical Properties
Molecular Weight: 364.272 g/mol	logS: -6.88315	SlogP: 5.7432	Reactive groups: 0

Topological Properties
Globularity: 0.0846323	Sterimol/B1: 4.32226	Sterimol/B2: 4.50158	Sterimol/B3: 5.92234
Sterimol/B4: 6.54786	Sterimol/L: 16.3655

Surface and Volume Properties
Accessible surface: 622.957	Positive charged surface: 321.284	Negative charged surface: 301.673	Volume: 335
Hydrophobic surface: 548.603	Hydrophilic surface: 74.354

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.