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MMsINC code: MMs01547199

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₃

SMILES:

Clc1cc(cc(C)c1NC(=O)COc1ccccc1C(=O)N)C

InChI:

InChI=1/C17H17ClN2O3/c1-10-7-11(2)16(13(18)8-10)20-15(21)9-23-14-6-4-3-5-12(14)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.373 kcal/mol

Physical Properties
Molecular Weight: 332.787 g/mol	logS: -5.05249	SlogP: 3.07324	Reactive groups: 0

Topological Properties
Globularity: 0.0707295	Sterimol/B1: 4.20868	Sterimol/B2: 4.6595	Sterimol/B3: 4.8272
Sterimol/B4: 5.51896	Sterimol/L: 17.2418

Surface and Volume Properties
Accessible surface: 579.147	Positive charged surface: 324.111	Negative charged surface: 255.036	Volume: 304.375
Hydrophobic surface: 447.311	Hydrophilic surface: 131.836

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.