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MMsINC code: MMs01502563

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₂

SMILES:

Clc1ccc(NC(=O)CC(NC(=O)C)c2ccccc2)cc1

InChI:

InChI=1/C17H17ClN2O2/c1-12(21)19-16(13-5-3-2-4-6-13)11-17(22)20-15-9-7-14(18)8-10-15/h2-10,16H,11H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9816 kcal/mol

Physical Properties
Molecular Weight: 316.788 g/mol	logS: -4.15101	SlogP: 3.6415	Reactive groups: 0

Topological Properties
Globularity: 0.0992948	Sterimol/B1: 2.2394	Sterimol/B2: 3.38997	Sterimol/B3: 4.02636
Sterimol/B4: 7.6164	Sterimol/L: 17.4539

Surface and Volume Properties
Accessible surface: 575.332	Positive charged surface: 302.295	Negative charged surface: 273.037	Volume: 299.75
Hydrophobic surface: 500.499	Hydrophilic surface: 74.833

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.