Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(F)ccc23)CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 558.08 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.47 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
high halogen content (>3)
EDJ-MED-3bfd841e-1
0.810
EDJ-MED-dac03e7f-5
0.808
EDJ-MED-dac03e7f-4
0.785
EDJ-MED-dac03e7f-6
0.764
EDJ-MED-dac03e7f-7
0.750
EDG-MED-b8f93667-5
0.710
EDG-MED-b8f93667-1
0.704
EDG-MED-b8f93667-7
0.704
EDJ-MED-c3ea9889-2
0.699
EDG-MED-b8f93667-3
0.680
EDJ-MED-c3ea9889-1
0.631
EDJ-MED-dac03e7f-1
0.624
EDJ-MED-c3ea9889-3
0.619
MIK-ENA-d22671f7-1
0.615
MIK-ENA-f5fe7855-1
0.615
MAT-POS-e119ab4f-5
0.615
LUO-POS-868e8996-1
0.615
MIK-ENA-e76e31f3-1
0.615
LUO-POS-868e8996-2
0.615
LUO-POS-c9faae85-1
0.604
EDJ-MED-b2a1399d-3
0.593
EDJ-MED-dac03e7f-2
0.588
EDJ-MED-dac03e7f-3
0.579
PET-UNK-5ad1c31a-12
0.575
PET-UNK-5ad1c31a-6
0.575
MAT-POS-c88128cb-13
0.564
PET-UNK-5ad1c31a-5
0.561
PET-UNK-5ad1c31a-11
0.561
MAT-POS-83f73d0a-4
0.559
EDG-MED-b8f93667-6
0.551
EDJ-MED-b2a1399d-4
0.546
EDG-MED-b8f93667-8
0.546
PET-UNK-6e612674-5
0.544
PET-UNK-6e612674-13
0.544
MAT-POS-c88128cb-4
0.539
MAT-POS-c88128cb-7
0.538
EDG-MED-b8f93667-2
0.537
LUO-POS-66f38ea0-1
0.534
MAT-POS-c88128cb-5
0.534
LUO-POS-3b937086-1
0.534
MAT-POS-c88128cb-8
0.534
LUO-POS-e3baa4d7-1
0.525
MAT-POS-c88128cb-6
0.525
MAT-POS-c88128cb-3
0.525
MAT-POS-c88128cb-9
0.525
EDG-MED-b8f93667-4
0.509
EDJ-MED-c3ea9889-4
0.508
MAT-POS-666635d5-1
0.508
PET-UNK-b78139fa-14
0.504
MAT-POS-83f73d0a-3
0.500
PET-UNK-6e612674-9
0.500
MAT-POS-c88128cb-10
0.500
PET-UNK-6e612674-1
0.500
EDJ-MED-b2a1399d-2
0.492
PET-UNK-407a74a5-16
0.491
EDJ-MED-b2a1399d-1
0.488
PET-UNK-4b4f2bb7-5
0.487
ALP-POS-6f6ae286-2
0.487
EDJ-MED-e69ed63d-17
0.468
PET-UNK-407a74a5-11
0.462
JOH-UNI-06d7cc04-1
0.456
PET-UNK-407a74a5-9
0.454
PET-UNK-6e612674-14
0.453
PET-UNK-6e612674-6
0.453
JOH-UNI-06346b80-1
0.442
ALP-POS-6f6ae286-3
0.442
PET-UNK-407a74a5-10
0.442
PET-UNK-6da3dcd8-12
0.442
PET-UNK-5d7c542f-1
0.442
PET-UNK-407a74a5-15
0.441
PET-UNK-407a74a5-17
0.441
MIC-UNK-54748b58-2
0.440
PET-UNK-407a74a5-14
0.439
PET-UNK-b566c0b0-1
0.438
PET-UNK-f9b7ae87-5
0.438
EDJ-MED-70ab3faf-3
0.435
EDJ-MED-70ab3faf-2
0.430
PET-UNK-407a74a5-18
0.429
EDJ-MED-c3ea9889-6
0.429
PET-UNK-81b485b5-6
0.426
PET-UNK-407a74a5-12
0.426
PET-UNK-81b485b5-20
0.426
MAT-POS-c88128cb-12
0.425
PET-UNK-6da3dcd8-11
0.424
PET-UNK-6da3dcd8-14
0.424
PET-UNK-03fd2068-9
0.424
PET-UNK-407a74a5-13
0.423
PET-UNK-bcc8fd08-6
0.422
PET-UNK-bcc8fd08-3
0.419
PET-UNK-b78139fa-5
0.419
ALP-POS-e266d783-2
0.417
MAT-POS-89bd6af1-3
0.417
MAT-UNK-28cf4d29-1
0.417
EDJ-MED-70ab3faf-1
0.415
MAT-POS-c88128cb-14
0.415
PET-UNK-5ad1c31a-4
0.414
PET-UNK-5ad1c31a-9
0.414
PET-UNK-5ad1c31a-10
0.414
PET-UNK-6da3dcd8-13
0.414
PET-UNK-5ad1c31a-3
0.414