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MMsINC code: MMs00282725

Type: Neutral
Formula: C₂₄H₂₃ClN₂O₂

SMILES:

Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCOCC1

InChI:

InChI=1/C24H23ClN2O2/c25-21-17-20(11-12-22(21)27-13-15-29-16-14-27)26-24(28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=192.757 kcal/mol

Physical Properties
Molecular Weight: 406.913 g/mol	logS: -6.01198	SlogP: 4.9472	Reactive groups: 0

Topological Properties
Globularity: 0.0820895	Sterimol/B1: 2.36397	Sterimol/B2: 3.6589	Sterimol/B3: 4.32232
Sterimol/B4: 9.32599	Sterimol/L: 16.1904

Surface and Volume Properties
Accessible surface: 680.603	Positive charged surface: 417.692	Negative charged surface: 262.911	Volume: 388.125
Hydrophobic surface: 632.423	Hydrophilic surface: 48.18

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.