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MMsINC code: MMs00764802

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

ClC=1CC2C(CC=1)C(=O)N(C(C(=O)NCc1ccccc1)C)C2=O

InChI:

InChI=1/C18H19ClN2O3/c1-11(16(22)20-10-12-5-3-2-4-6-12)21-17(23)14-8-7-13(19)9-15(14)18(21)24/h2-7,11,14-15H,8-10H2,1H3,(H,20,22)/t11-,14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4793 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -3.22324	SlogP: 2.5843	Reactive groups: 0

Topological Properties
Globularity: 0.0625149	Sterimol/B1: 2.36064	Sterimol/B2: 2.71579	Sterimol/B3: 5.01559
Sterimol/B4: 5.41652	Sterimol/L: 18.8528

Surface and Volume Properties
Accessible surface: 590.168	Positive charged surface: 321.634	Negative charged surface: 268.534	Volume: 317.875
Hydrophobic surface: 462.978	Hydrophilic surface: 127.19

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.