MMsINC Database Search


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MMsINC code: MMs00521137

Type: Neutral
Formula: C₂₂H₁₈ClFN₂O₂

SMILES:

Clc1ccccc1NC(=O)c1ccccc1NC(=O)CCc1ccccc1F

InChI:

InChI=1/C22H18ClFN2O2/c23-17-9-3-6-12-20(17)26-22(28)16-8-2-5-11-19(16)25-21(27)14-13-15-7-1-4-10-18(15)24/h1-12H,13-14H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.664 kcal/mol

Physical Properties
Molecular Weight: 396.849 g/mol	logS: -6.29752	SlogP: 5.30267	Reactive groups: 0

Topological Properties
Globularity: 0.0301422	Sterimol/B1: 2.3416	Sterimol/B2: 4.75264	Sterimol/B3: 5.42366
Sterimol/B4: 8.00455	Sterimol/L: 17.8357

Surface and Volume Properties
Accessible surface: 661.615	Positive charged surface: 333.383	Negative charged surface: 328.232	Volume: 361.875
Hydrophobic surface: 607.012	Hydrophilic surface: 54.603

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.