MMsINC Database Search


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MMsINC code: MMs02197584

Type: Neutral
Formula: C₂₂H₁₅ClN₂O₃

SMILES:

Clc1ccccc1C(=O)N(CN1C(=O)c2c(cccc2)C1=O)c1ccccc1

InChI:

InChI=1/C22H15ClN2O3/c23-19-13-7-6-12-18(19)22(28)24(15-8-2-1-3-9-15)14-25-20(26)16-10-4-5-11-17(16)21(25)27/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=214.726 kcal/mol

Physical Properties
Molecular Weight: 390.826 g/mol	logS: -6.03286	SlogP: 4.2405	Reactive groups: 0

Topological Properties
Globularity: 0.178103	Sterimol/B1: 2.54021	Sterimol/B2: 3.66044	Sterimol/B3: 4.68092
Sterimol/B4: 11.6654	Sterimol/L: 14.336

Surface and Volume Properties
Accessible surface: 583.607	Positive charged surface: 279.322	Negative charged surface: 304.285	Volume: 342.5
Hydrophobic surface: 515.124	Hydrophilic surface: 68.483

Pharmacophoric Properties
Hydrogen bond donors: 0	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.