Molecular Properties | |
SMILES: | CN(Cc1ccc(Cl)cc1C1CCCN(c2cncc3ccccc23)C1=O)S(=O)(=O)CC1(C#N)CC1 |
MW: | 522.15 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 94.37 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-11-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
ALP-POS-bb8a3193-8
0.856
ALP-POS-bb8a3193-5
0.711
ALP-UNI-58319883-1
0.625
ALP-POS-bb8a3193-4
0.600
ALP-POS-df536be7-4
0.517
ALP-POS-ce760d3f-8
0.500
PET-UNK-c9c1e0d8-3
0.473
ALP-POS-bb8a3193-6
0.472
ALP-POS-e0fe77e5-1
0.455
ALP-UNI-3735e77e-1
0.455
MIK-ENA-be04d1d4-1
0.455
MIK-ENA-e143773d-1
0.455
MIK-ENA-edcfce18-1
0.455
MIK-ENA-0547b12c-1
0.455
MAT-POS-50a80394-2
0.455
EDJ-MED-28b38b9b-1
0.453
MAT-POS-b3212acf-2
0.451
MIC-UNK-257d841f-1
0.451
EDJ-MED-28b38b9b-2
0.444
MIK-ENA-99706bb8-1
0.444
MIK-ENA-17e27e9c-1
0.444
MIK-ENA-623fe2a6-1
0.444
MIK-ENA-2c0ad173-1
0.444
MAT-POS-50a80394-1
0.444
EDJ-MED-9f4ac58c-2
0.443
ALP-POS-c3a90b22-8
0.439
MAT-POS-b3212acf-1
0.437
MAT-POS-50a80394-3
0.437
VLA-UNK-e334495f-4
0.436
MIC-UNK-c85ea37c-3
0.436
ALP-POS-01611061-3
0.432
LUO-POS-f7b1afe6-1
0.431
ALP-POS-01611061-2
0.431
MIC-UNK-257d841f-2
0.431
EDJ-MED-28b38b9b-3
0.430
VLA-UNK-61877630-9
0.429
VLA-UNK-e334495f-3
0.429
ALP-POS-133e7cd9-2
0.425
MIK-ENA-5d9157e9-1
0.424
EDJ-MED-8bb691af-6
0.424
MIK-ENA-5d9157e9-2
0.424
EDJ-MED-a12e3a20-1
0.424
EDJ-MED-7e491f08-1
0.424
ALP-POS-ecbed2ba-4
0.424
MIC-UNK-c85ea37c-1
0.423
XIA-UNK-e3342273-1
0.419
MAT-POS-50a80394-8
0.418
ALP-POS-01611061-1
0.418
LUO-POS-f7b1afe6-2
0.418
VLA-UNK-61877630-7
0.415
VLA-UNK-e334495f-1
0.415
ALP-POS-c3a90b22-7
0.414
MIC-UNK-c85ea37c-2
0.412
MIC-UNK-d854bf4c-7
0.409
BEN-DND-d1eb1f41-8
0.408
EDJ-MED-8bb691af-5
0.407
ALP-POS-ecbed2ba-8
0.407
ALP-POS-ecbed2ba-15
0.401
LUO-POS-b5068a05-1
0.401
ALP-POS-ecbed2ba-11
0.400
LUO-POS-eaf50f21-4
0.400
LUO-POS-e1dab717-16
0.399
EDJ-MED-4138fde9-7
0.399
EDG-MED-00af8776-1
0.394
EDG-MED-0c930815-1
0.394
EDG-MED-b6bce001-1
0.394
MAT-POS-e20a5dfb-1
0.394
MAT-POS-e20a5dfb-2
0.394
ALP-POS-477dc5b7-5
0.394
ALP-POS-e0fe77e5-7
0.394
EDG-MED-5d232de5-7
0.393
PET-UNK-c9c1e0d8-4
0.393
GIA-UNK-80c9bc96-1
0.393
EDG-MED-5d232de5-8
0.393
MIC-UNK-eb20c3e1-3
0.391
VLA-UNK-61877630-8
0.391
LUO-POS-eaf50f21-1
0.391
LUO-POS-e1dab717-15
0.391
VLA-UNK-e334495f-2
0.391
MIC-UNK-d854bf4c-3
0.391
EDG-MED-b6bce001-2
0.388
ALP-POS-ecbed2ba-13
0.387
PET-UNK-94036022-6
0.387
PET-UNK-94036022-13
0.387
LUO-POS-5857a86a-1
0.386
MIK-ENA-fe164c2a-1
0.384
BEN-DND-d1eb1f41-15
0.383
MIC-UNK-d854bf4c-8
0.383
BEN-DND-d1eb1f41-9
0.382
MIC-UNK-7b6fe9e8-2
0.381
MAT-POS-c2d406ed-2
0.381
ALP-POS-ecbed2ba-16
0.381
EDJ-MED-33064c06-17
0.381
LUO-POS-eaf50f21-2
0.380
ALP-POS-ecbed2ba-17
0.380
EDJ-MED-fed7ac0b-3
0.379
ALP-POS-ecbed2ba-2
0.378
LUO-POS-b5068a05-2
0.378
MAT-POS-e75f6e44-11
0.374
MAT-POS-a9372f04-1
0.374