Molecular Properties | |
SMILES: | CN(Cc1ccc(Cl)cc1C1CCN(c2cncc3ccccc23)C1=O)S(=O)(=O)CC1(C#N)CC1 |
MW: | 508.13 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 94.37 |
cLogP: | 4.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-11-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
ALP-POS-bb8a3193-9
0.856
ALP-POS-bb8a3193-4
0.703
ALP-POS-df536be7-4
0.615
ALP-POS-bb8a3193-5
0.600
ALP-UNI-58319883-1
0.517
EDJ-MED-28b38b9b-1
0.512
EDJ-MED-28b38b9b-2
0.504
EDJ-MED-28b38b9b-3
0.500
ALP-POS-bb8a3193-6
0.472
MIK-ENA-be04d1d4-1
0.465
MIK-ENA-e143773d-1
0.465
MIK-ENA-edcfce18-1
0.465
MIK-ENA-0547b12c-1
0.465
MAT-POS-50a80394-2
0.465
MIC-UNK-257d841f-1
0.462
MAT-POS-b3212acf-2
0.462
PET-UNK-c9c1e0d8-4
0.455
GIA-UNK-80c9bc96-1
0.455
EDG-MED-5d232de5-8
0.455
EDG-MED-5d232de5-7
0.455
MIK-ENA-99706bb8-1
0.454
MIK-ENA-17e27e9c-1
0.454
MIK-ENA-623fe2a6-1
0.454
MIK-ENA-2c0ad173-1
0.454
MAT-POS-50a80394-1
0.454
EDJ-MED-9f4ac58c-2
0.453
ALP-POS-c3a90b22-8
0.450
MAT-POS-b3212acf-1
0.447
MAT-POS-50a80394-3
0.447
VLA-UNK-e334495f-4
0.446
EDJ-MED-a12e3a20-1
0.445
MIC-UNK-c85ea37c-3
0.445
BEN-DND-d1eb1f41-15
0.442
LUO-POS-f7b1afe6-1
0.441
ALP-POS-01611061-2
0.441
MIC-UNK-257d841f-2
0.440
XIA-UNK-e3342273-1
0.439
VLA-UNK-61877630-9
0.438
VLA-UNK-e334495f-3
0.438
MIK-ENA-5d9157e9-2
0.434
EDJ-MED-7e491f08-1
0.434
ALP-POS-ecbed2ba-4
0.434
MIK-ENA-5d9157e9-1
0.434
EDJ-MED-8bb691af-6
0.434
ALP-POS-01611061-3
0.431
MAT-POS-50a80394-8
0.427
ALP-POS-01611061-1
0.427
LUO-POS-f7b1afe6-2
0.427
VLA-UNK-61877630-7
0.424
VLA-UNK-e334495f-1
0.424
ALP-POS-c3a90b22-7
0.423
MIC-UNK-c85ea37c-1
0.421
MIC-UNK-c85ea37c-2
0.421
ALP-POS-ce760d3f-8
0.420
MIC-UNK-d854bf4c-7
0.419
BEN-DND-d1eb1f41-8
0.419
EDJ-MED-8bb691af-5
0.417
ALP-POS-133e7cd9-2
0.414
EDJ-MED-4138fde9-7
0.407
ALP-POS-ecbed2ba-8
0.406
PET-UNK-94036022-6
0.406
PET-UNK-94036022-13
0.406
VLA-UNK-61877630-8
0.400
VLA-UNK-e334495f-2
0.400
MIC-UNK-d854bf4c-3
0.400
MIC-UNK-eb20c3e1-3
0.400
LUO-POS-b5068a05-1
0.400
ALP-POS-ecbed2ba-15
0.400
ALP-POS-ecbed2ba-11
0.399
LUO-POS-eaf50f21-4
0.399
ALP-POS-ecbed2ba-17
0.398
LUO-POS-e1dab717-16
0.397
PET-UNK-c9c1e0d8-3
0.397
MAT-POS-a9372f04-1
0.395
EDG-MED-00af8776-1
0.393
EDG-MED-0c930815-1
0.393
MIK-ENA-fe164c2a-1
0.393
EDG-MED-b6bce001-1
0.393
MIC-UNK-d854bf4c-8
0.392
BEN-DND-d1eb1f41-9
0.392
LUO-POS-eaf50f21-1
0.390
LUO-POS-e1dab717-15
0.390
ALP-POS-ecbed2ba-16
0.390
EDJ-MED-33064c06-17
0.390
EDG-MED-b6bce001-2
0.387
ALP-POS-ecbed2ba-2
0.386
EDJ-MED-9f4ac58c-6
0.385
ALP-POS-ecbed2ba-13
0.385
MAT-POS-e75f6e44-11
0.382
MAT-UCL-e2ab2224-1
0.381
EDJ-MED-40e596c8-5
0.381
MIC-UNK-7b6fe9e8-2
0.380
MAT-POS-c2d406ed-2
0.380
ALP-UNI-3735e77e-1
0.379
ALP-POS-e0fe77e5-1
0.379
EDJ-MED-accc2c4d-4
0.379
EDJ-MED-accc2c4d-3
0.379
LUO-POS-eaf50f21-2
0.379
EDJ-MED-cbbe2dbb-2
0.379
PET-UNK-431b3bfb-1
0.378