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MMsINC code: MMs00490365

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₂

SMILES:

Clc1ccccc1C(N1CCOCC1)C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C19H21ClN2O2/c1-14-5-4-6-15(13-14)21-19(23)18(22-9-11-24-12-10-22)16-7-2-3-8-17(16)20/h2-8,13,18H,9-12H2,1H3,(H,21,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.806 kcal/mol

Physical Properties
Molecular Weight: 344.842 g/mol	logS: -4.75245	SlogP: 3.75592	Reactive groups: 0

Topological Properties
Globularity: 0.124093	Sterimol/B1: 3.28738	Sterimol/B2: 5.63051	Sterimol/B3: 5.6702
Sterimol/B4: 6.53891	Sterimol/L: 15.2943

Surface and Volume Properties
Accessible surface: 578.419	Positive charged surface: 362.378	Negative charged surface: 216.041	Volume: 326.25
Hydrophobic surface: 554.057	Hydrophilic surface: 24.362

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

MMs00490366
CHEMBLOCK-ZINC00053615