MMsINC Database Search


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MMsINC code: MMs03285682

Type: Neutral
Formula: C₂₂H₁₅ClN₂O₃

SMILES:

Clc1ccc(cc1)C1N(C(=O)C(=O)C1C(=O)c1ccccc1)c1cccnc1

InChI:

InChI=1/C22H15ClN2O3/c23-16-10-8-14(9-11-16)19-18(20(26)15-5-2-1-3-6-15)21(27)22(28)25(19)17-7-4-12-24-13-17/h1-13,18-19H/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.208 kcal/mol

Physical Properties
Molecular Weight: 390.826 g/mol	logS: -5.06095	SlogP: 3.9866	Reactive groups: 0

Topological Properties
Globularity: 0.157069	Sterimol/B1: 3.38477	Sterimol/B2: 5.01519	Sterimol/B3: 5.59077
Sterimol/B4: 6.55484	Sterimol/L: 15.364

Surface and Volume Properties
Accessible surface: 570.968	Positive charged surface: 290.885	Negative charged surface: 280.083	Volume: 345.5
Hydrophobic surface: 459.191	Hydrophilic surface: 111.777

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.