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MMsINC code: MMs01625063

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1cc(C)c(NC(=O)C2CC(=O)N(C2)Cc2ccccc2)cc1

InChI:

InChI=1/C19H19ClN2O2/c1-13-9-16(20)7-8-17(13)21-19(24)15-10-18(23)22(12-15)11-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,24)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7676 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.10345	SlogP: 3.90202	Reactive groups: 0

Topological Properties
Globularity: 0.062597	Sterimol/B1: 2.64995	Sterimol/B2: 3.76971	Sterimol/B3: 3.77547
Sterimol/B4: 7.02746	Sterimol/L: 16.3701

Surface and Volume Properties
Accessible surface: 594.52	Positive charged surface: 332.198	Negative charged surface: 262.322	Volume: 324.375
Hydrophobic surface: 524.5	Hydrophilic surface: 70.02

Pharmacophoric Properties
Hydrogen bond donors: 1	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.