Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)NCc2ccc(Cl)cc2C2CCCN(c3cncc4ccccc34)C2=O)CC1 |
MW: | 508.13 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 103.16 |
cLogP: | 4.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-11-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
ALP-POS-bb8a3193-4
0.854
ALP-UNI-58319883-1
0.740
ALP-POS-bb8a3193-9
0.711
ALP-POS-df536be7-4
0.618
ALP-POS-bb8a3193-8
0.600
ALP-POS-ce760d3f-8
0.533
PET-UNK-c9c1e0d8-3
0.491
MAT-POS-50a80394-2
0.481
MIK-ENA-be04d1d4-1
0.481
MIK-ENA-e143773d-1
0.481
MIK-ENA-edcfce18-1
0.481
MIK-ENA-0547b12c-1
0.481
ALP-UNI-3735e77e-1
0.473
ALP-POS-e0fe77e5-1
0.473
ALP-POS-6479a3a9-1
0.467
ALP-POS-d7944b10-3
0.467
MAT-POS-b3212acf-2
0.466
MIC-UNK-257d841f-1
0.466
MAT-POS-50a80394-1
0.458
MIK-ENA-99706bb8-1
0.458
MIK-ENA-17e27e9c-1
0.458
MIK-ENA-623fe2a6-1
0.458
MIK-ENA-2c0ad173-1
0.458
EDJ-MED-9f4ac58c-2
0.457
ALP-POS-01611061-3
0.457
ALP-POS-01611061-2
0.457
LUO-POS-f7b1afe6-1
0.457
MIC-UNK-257d841f-2
0.455
ALP-POS-c3a90b22-8
0.454
VLA-UNK-61877630-9
0.454
VLA-UNK-e334495f-3
0.454
MAT-POS-50a80394-3
0.451
MAT-POS-b3212acf-1
0.451
VLA-UNK-e334495f-1
0.450
VLA-UNK-61877630-7
0.450
ALP-POS-133e7cd9-2
0.450
EDJ-MED-7e491f08-1
0.450
ALP-POS-c3a90b22-7
0.450
EDJ-MED-8bb691af-6
0.450
MIK-ENA-5d9157e9-1
0.450
ALP-POS-ecbed2ba-4
0.450
MIK-ENA-5d9157e9-2
0.450
EDJ-MED-28b38b9b-2
0.448
MIC-UNK-c85ea37c-1
0.446
EDJ-MED-28b38b9b-1
0.445
VLA-UNK-e334495f-4
0.439
MIC-UNK-c85ea37c-3
0.439
EDJ-MED-a12e3a20-1
0.438
MIC-UNK-c85ea37c-2
0.434
ALP-POS-01611061-1
0.432
MAT-POS-50a80394-8
0.432
LUO-POS-f7b1afe6-2
0.432
EDJ-MED-8bb691af-5
0.432
ALP-POS-ecbed2ba-8
0.432
ALP-POS-bb8a3193-7
0.431
EDG-MED-b6bce001-1
0.429
EDG-MED-00af8776-1
0.429
EDG-MED-0c930815-1
0.429
VLA-UNK-e334495f-2
0.425
LUO-POS-eaf50f21-1
0.425
ALP-POS-ecbed2ba-15
0.425
VLA-UNK-61877630-8
0.425
EDG-MED-b6bce001-2
0.422
EDJ-MED-28b38b9b-3
0.422
LUO-POS-b5068a05-2
0.420
ALP-POS-d7944b10-9
0.420
MIK-ENA-fe164c2a-1
0.418
ALP-POS-d7944b10-11
0.417
LUO-POS-b5068a05-1
0.414
ALP-POS-ecbed2ba-11
0.413
LUO-POS-eaf50f21-2
0.413
LUO-POS-eaf50f21-4
0.413
MIC-UNK-d854bf4c-7
0.413
XIA-UNK-e3342273-1
0.412
EDG-MED-5d232de5-8
0.409
EDG-MED-5d232de5-7
0.409
PET-UNK-c9c1e0d8-4
0.409
GIA-UNK-80c9bc96-1
0.409
MAT-POS-e75f6e44-11
0.407
EDJ-MED-40e596c8-5
0.406
MIC-UNK-eb20c3e1-3
0.404
LUO-POS-e1dab717-15
0.404
EDJ-MED-33064c06-17
0.404
LUO-POS-eaf50f21-5
0.404
EDJ-MED-4138fde9-7
0.401
EDJ-MED-fed7ac0b-3
0.401
LUO-POS-e1dab717-16
0.401
LUO-POS-eaf50f21-3
0.401
MIK-ENA-f156d06e-1
0.400
LUO-POS-5857a86a-2
0.400
MAT-POS-c2d406ed-1
0.400
BEN-DND-d1eb1f41-8
0.400
ALP-POS-ecbed2ba-2
0.400
LUO-POS-5857a86a-1
0.399
BEN-DND-d1eb1f41-15
0.398
ALP-POS-477dc5b7-5
0.397
ALP-POS-e0fe77e5-7
0.397
MAT-POS-e20a5dfb-1
0.397
MAT-POS-e20a5dfb-2
0.397
MAT-POS-c2d406ed-2
0.394