MMsINC Database Search


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MMsINC code: MMs00194518

Type: Neutral
Formula: C₁₉H₁₆ClN₃O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(NC(=O)C)ccc1

InChI:

InChI=1/C19H16ClN3O3/c1-11-17(18(23-26-11)15-8-3-4-9-16(15)20)19(25)22-14-7-5-6-13(10-14)21-12(2)24/h3-10H,1-2H3,(H,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.125 kcal/mol

Physical Properties
Molecular Weight: 369.808 g/mol	logS: -5.65353	SlogP: 4.51412	Reactive groups: 0

Topological Properties
Globularity: 0.10428	Sterimol/B1: 2.40516	Sterimol/B2: 3.73585	Sterimol/B3: 4.17047
Sterimol/B4: 9.70601	Sterimol/L: 16.5669

Surface and Volume Properties
Accessible surface: 624.944	Positive charged surface: 310.472	Negative charged surface: 314.472	Volume: 330.75
Hydrophobic surface: 524.104	Hydrophilic surface: 100.84

Pharmacophoric Properties
Hydrogen bond donors: 2	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.