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MMsINC code: MMs02788467

Type: Neutral
Formula: C₂₂H₁₉ClN₂O₃

SMILES:

Clc1cc(ccc1)C(=O)Nc1cc(NC(=O)COc2ccccc2C)ccc1

InChI:

InChI=1/C22H19ClN2O3/c1-15-6-2-3-11-20(15)28-14-21(26)24-18-9-5-10-19(13-18)25-22(27)16-7-4-8-17(23)12-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.198 kcal/mol

Physical Properties
Molecular Weight: 394.858 g/mol	logS: -6.29644	SlogP: 4.91822	Reactive groups: 0

Topological Properties
Globularity: 0.0260093	Sterimol/B1: 2.31383	Sterimol/B2: 4.73446	Sterimol/B3: 4.81356
Sterimol/B4: 6.29855	Sterimol/L: 21.4414

Surface and Volume Properties
Accessible surface: 685.756	Positive charged surface: 359.049	Negative charged surface: 326.707	Volume: 368.625
Hydrophobic surface: 600.335	Hydrophilic surface: 85.421

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.