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MMsINC code: MMs00473276

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)NCC=C

InChI:

InChI=1/C19H19ClN2O2/c1-2-12-21-19(24)17(13-14-6-4-3-5-7-14)22-18(23)15-8-10-16(20)11-9-15/h2-11,17H,1,12-13H2,(H,21,24)(H,22,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4108 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.76347	SlogP: 2.98327	Reactive groups: 0

Topological Properties
Globularity: 0.0989064	Sterimol/B1: 3.09993	Sterimol/B2: 3.49482	Sterimol/B3: 4.35312
Sterimol/B4: 8.3568	Sterimol/L: 17.7096

Surface and Volume Properties
Accessible surface: 622.038	Positive charged surface: 310.952	Negative charged surface: 311.086	Volume: 330.5
Hydrophobic surface: 496.299	Hydrophilic surface: 125.739

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