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MMsINC code: MMs01547331

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₃

SMILES:

Clc1cc(ccc1)C(NC(=O)COc1ccccc1C(=O)N)C

InChI:

InChI=1/C17H17ClN2O3/c1-11(12-5-4-6-13(18)9-12)20-16(21)10-23-15-8-3-2-7-14(15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1698 kcal/mol

Physical Properties
Molecular Weight: 332.787 g/mol	logS: -4.68935	SlogP: 2.7906	Reactive groups: 0

Topological Properties
Globularity: 0.0419465	Sterimol/B1: 2.17384	Sterimol/B2: 3.04554	Sterimol/B3: 5.21162
Sterimol/B4: 6.89991	Sterimol/L: 16.6849

Surface and Volume Properties
Accessible surface: 589.012	Positive charged surface: 317.421	Negative charged surface: 271.591	Volume: 305
Hydrophobic surface: 434.496	Hydrophilic surface: 154.516

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.