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MMsINC code: MMs00986579

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1cc(NC(=O)CCCOC2=CC(=O)N(c3c2cccc3)C)ccc1

InChI:

InChI=1/C20H19ClN2O3/c1-23-17-9-3-2-8-16(17)18(13-20(23)25)26-11-5-10-19(24)22-15-7-4-6-14(21)12-15/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0339 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -5.01002	SlogP: 4.0928	Reactive groups: 0

Topological Properties
Globularity: 0.0108925	Sterimol/B1: 2.66259	Sterimol/B2: 3.22621	Sterimol/B3: 3.51413
Sterimol/B4: 7.20753	Sterimol/L: 20.3011

Surface and Volume Properties
Accessible surface: 649.176	Positive charged surface: 377.72	Negative charged surface: 271.456	Volume: 341.625
Hydrophobic surface: 562.055	Hydrophilic surface: 87.121

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.