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MMsINC code: MMs00121686

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)/C(=N/NC(=O)COc1ccccc1OCC)/C

InChI:

InChI=1/C18H19ClN2O3/c1-3-23-16-6-4-5-7-17(16)24-12-18(22)21-20-13(2)14-8-10-15(19)11-9-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.876 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -5.03301	SlogP: 3.6579	Reactive groups: 0

Topological Properties
Globularity: 0.00593916	Sterimol/B1: 2.04093	Sterimol/B2: 2.37753	Sterimol/B3: 2.51693
Sterimol/B4: 8.91311	Sterimol/L: 19.1131

Surface and Volume Properties
Accessible surface: 645.27	Positive charged surface: 356.986	Negative charged surface: 288.284	Volume: 325.5
Hydrophobic surface: 544.797	Hydrophilic surface: 100.473

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.