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MMsINC code: MMs01700139

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₃

SMILES:

Clc1cc(cc2OCCCOc12)CNC(=O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H21ClN2O3/c1-22(2)15-6-4-14(5-7-15)19(23)21-12-13-10-16(20)18-17(11-13)24-8-3-9-25-18/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5817 kcal/mol

Physical Properties
Molecular Weight: 360.841 g/mol	logS: -4.41198	SlogP: 3.7637	Reactive groups: 0

Topological Properties
Globularity: 0.0502595	Sterimol/B1: 3.94689	Sterimol/B2: 4.10165	Sterimol/B3: 5.19787
Sterimol/B4: 5.88794	Sterimol/L: 19.0136

Surface and Volume Properties
Accessible surface: 620.572	Positive charged surface: 421.844	Negative charged surface: 198.728	Volume: 338.375
Hydrophobic surface: 556.674	Hydrophilic surface: 63.898

Pharmacophoric Properties
Hydrogen bond donors: 1	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.