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MMsINC code: MMs01106231

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(N1CCOCC1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C19H20Cl2N2O2/c1-13-4-2-3-5-17(13)22-19(24)18(23-8-10-25-11-9-23)15-7-6-14(20)12-16(15)21/h2-7,12,18H,8-11H2,1H3,(H,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.843 kcal/mol

Physical Properties
Molecular Weight: 379.287 g/mol	logS: -5.17329	SlogP: 4.40932	Reactive groups: 0

Topological Properties
Globularity: 0.103303	Sterimol/B1: 3.24612	Sterimol/B2: 4.77893	Sterimol/B3: 5.96926
Sterimol/B4: 7.31523	Sterimol/L: 14.4527

Surface and Volume Properties
Accessible surface: 582.996	Positive charged surface: 327.762	Negative charged surface: 255.234	Volume: 341.625
Hydrophobic surface: 552.238	Hydrophilic surface: 30.758

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01106232
CHEMSTAR-ZINC04118755