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MMsINC code: MMs00397302

Type: Neutral
Formula: C₁₇H₂₄ClN₃O₃

SMILES:

Clc1ccc(NC(=O)N2CCCC2C(=O)NCCCOCC)cc1

InChI:

InChI=1/C17H24ClN3O3/c1-2-24-12-4-10-19-16(22)15-5-3-11-21(15)17(23)20-14-8-6-13(18)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.5987 kcal/mol

Physical Properties
Molecular Weight: 353.85 g/mol	logS: -3.45306	SlogP: 2.8791	Reactive groups: 0

Topological Properties
Globularity: 0.0407953	Sterimol/B1: 3.03742	Sterimol/B2: 3.65823	Sterimol/B3: 5.88496
Sterimol/B4: 7.69145	Sterimol/L: 19.069

Surface and Volume Properties
Accessible surface: 664.946	Positive charged surface: 444.61	Negative charged surface: 220.336	Volume: 336.375
Hydrophobic surface: 572.914	Hydrophilic surface: 92.032

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.