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MMsINC code: MMs01399054

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₃

SMILES:

Clc1ccccc1C(=O)NCCC(=O)NCCc1ccc(OC)cc1

InChI:

InChI=1/C19H21ClN2O3/c1-25-15-8-6-14(7-9-15)10-12-21-18(23)11-13-22-19(24)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1851 kcal/mol

Physical Properties
Molecular Weight: 360.841 g/mol	logS: -4.19954	SlogP: 2.82737	Reactive groups: 0

Topological Properties
Globularity: 0.0220572	Sterimol/B1: 2.82958	Sterimol/B2: 3.9406	Sterimol/B3: 4.5788
Sterimol/B4: 4.98545	Sterimol/L: 23.0469

Surface and Volume Properties
Accessible surface: 662.132	Positive charged surface: 411.665	Negative charged surface: 250.468	Volume: 343.25
Hydrophobic surface: 564.224	Hydrophilic surface: 97.908

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.