Molecular Properties | |
SMILES: | O=C1N(c2cncc3cc(NS(=O)(=O)C4CC4)ccc23)CCC12CCS(=O)(=O)c1ccc(Cl)cc12 |
MW: | 531.07 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-12-21 |
Synthesis Location: | moonshot |
Shipped: | synthesis in progress |
Activated haloaromatics
Hetero_hetero
MIC-UNK-91acba05-3
EDJ-MED-94fddcec-7
0.832
EDJ-MED-ede5c6cb-1
0.832
EDJ-MED-94fddcec-5
0.693
EDJ-MED-94fddcec-6
0.663
EDJ-MED-94fddcec-4
0.624
EDJ-MED-d4864bdc-3
0.624
ALP-POS-41e2080f-1
0.624
EDJ-MED-d4864bdc-4
0.525
MAT-POS-b4d6b7fc-7
0.472
EDJ-MED-9f4ac58c-3
0.443
EDJ-MED-9f4ac58c-7
0.443
ALP-POS-4483ae88-1
0.436
EDJ-MED-f9b78f78-4
0.436
ALP-POS-4483ae88-2
0.416
LUO-POS-e1dab717-12
0.415
LUO-POS-e1dab717-11
0.406
EDJ-MED-976a33d5-3
0.394
EDG-MED-b1ef7fe3-3
0.391
EDJ-MED-7d88f880-1
0.389
EDJ-MED-7d88f880-2
0.388
EDG-MED-b1ef7fe3-4
0.387
EDJ-MED-98c0a822-1
0.385
EDJ-MED-976a33d5-2
0.381
EDJ-MED-33064c06-7
0.381
LUO-POS-e1dab717-10
0.381
EDJ-MED-98c0a822-2
0.379
MAT-POS-983b399a-1
0.378
ALP-POS-477dc5b7-4
0.378
EDJ-MED-159244ea-1
0.378
EDJ-MED-40e596c8-1
0.378
EDJ-MED-9f4ac58c-1
0.377
EDJ-MED-9f4ac58c-5
0.377
VLA-UNK-f2612802-1
0.377
LUO-POS-e1dab717-9
0.376
DAR-DIA-6be260fc-5
0.375
EDJ-MED-40e596c8-2
0.374
JAG-UCB-f37eaa14-9
0.374
ERI-UCB-b3e6b0c2-18
0.369
MAT-POS-853c0ffa-22
0.368
EDJ-MED-7587a9ee-3
0.366
EDJ-MED-7d88f880-3
0.365
JAG-UCB-f37eaa14-4
0.364
ALP-POS-ecbed2ba-5
0.364
ERI-UCB-b3e6b0c2-19
0.362
EDJ-MED-4138fde9-8
0.359
ALP-POS-ecbed2ba-10
0.359
VLA-UNK-f2612802-2
0.359
EDJ-MED-40e596c8-3
0.358
EDJ-MED-9f4ac58c-8
0.358
EDJ-MED-9f4ac58c-4
0.358
MAT-POS-853c0ffa-15
0.358
MAT-POS-853c0ffa-16
0.358
JAG-UCB-f37eaa14-6
0.357
LUO-POS-ed2cfb03-2
0.357
ALP-POS-ecbed2ba-9
0.356
EDJ-MED-40e596c8-5
0.356
PET-UNK-c6bcc80b-12
0.355
PET-UNK-c6bcc80b-5
0.355
EDJ-MED-accc2c4d-3
0.354
PET-UNK-c6bcc80b-6
0.350
PET-UNK-c6bcc80b-13
0.350
JAG-UCB-f37eaa14-3
0.350
ALP-POS-ecbed2ba-20
0.349
LUO-POS-e1dab717-19
0.349
ALP-POS-ecbed2ba-12
0.348
MAT-POS-69786b79-2
0.348
MAT-POS-566864e2-1
0.348
MAT-POS-566864e2-2
0.348
DAR-DIA-6be260fc-1
0.347
JAG-UCB-f37eaa14-2
0.347
VLA-UNK-3bd6fc51-1
0.346
LUO-POS-ed2cfb03-1
0.346
JAG-UCB-f37eaa14-7
0.346
MAT-POS-e75f6e44-2
0.346
MAT-POS-e75f6e44-20
0.346
MAT-POS-22373164-4
0.345
MAT-POS-8293a91a-8
0.344
EDJ-MED-70ab3faf-2
0.344
EDJ-MED-8bb691af-4
0.344
LUO-POS-868e8996-11
0.344
MAT-POS-c7726e07-5
0.344
MAT-POS-c7726e07-6
0.344
LUO-POS-868e8996-12
0.344
EDJ-MED-accc2c4d-4
0.344
PET-UNK-94036022-3
0.344
PET-UNK-94036022-10
0.344
EDJ-MED-3707c4bc-1
0.344
EDJ-MED-3707c4bc-2
0.344
ALP-POS-c3a90b22-6
0.344
MAT-POS-e75f6e44-7
0.343
MAT-POS-e75f6e44-17
0.343
MAT-POS-e75f6e44-8
0.343
MAT-POS-e75f6e44-9
0.343
PET-UNK-407a74a5-16
0.341
MAT-POS-1ecf5680-2
0.341
JAG-UCB-f37eaa14-8
0.341
MAT-POS-69786b79-3
0.341
EDJ-MED-6b23330e-6
0.341
ALP-POS-ecbed2ba-1
0.341
MAT-POS-e75f6e44-6
0.341