Molecular Properties | |
SMILES: | CC(C)(O)c1ccc2cncc(NC(=O)C3(C)CNS(=O)(=O)c4ccc(Cl)cc43)c2c1 |
MW: | 459.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 108.39 |
cLogP: | 3.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
MAT-POS-c88128cb-12
0.756
MAT-POS-806462de-1
0.722
MAT-POS-806462de-2
0.722
ALP-POS-1cbc2fae-1
0.722
MAT-POS-c88128cb-13
0.639
MAT-POS-c88128cb-14
0.626
MAT-POS-c88128cb-15
0.592
MIK-ENA-5d9157e9-6
0.539
MIK-ENA-5d9157e9-5
0.539
ALP-POS-5fe48310-1
0.539
PET-UNK-1abb40f2-1
0.495
PET-UNK-1abb40f2-3
0.495
ALP-POS-1cbc2fae-2
0.495
MAT-POS-83f73d0a-3
0.476
EDJ-MED-70ab3faf-1
0.467
PET-UNK-6e612674-2
0.462
PET-UNK-6e612674-10
0.462
MAT-POS-83f73d0a-4
0.455
PET-UNK-6e612674-4
0.447
PET-UNK-6e612674-12
0.447
ALP-POS-1460fd94-3
0.443
MAT-POS-c88128cb-4
0.439
EDJ-MED-2f867453-1
0.438
PET-UNK-6e612674-1
0.438
PET-UNK-6e612674-9
0.438
EDJ-MED-b2a1399d-4
0.437
MAT-POS-c88128cb-5
0.435
LUO-POS-66f38ea0-1
0.435
MAT-POS-e119ab4f-5
0.430
MIK-ENA-f5fe7855-1
0.430
LUO-POS-868e8996-1
0.430
MIK-ENA-e76e31f3-1
0.430
MIK-ENA-d22671f7-1
0.430
LUO-POS-868e8996-2
0.430
PET-UNK-6e612674-3
0.430
PET-UNK-6e612674-11
0.430
MAT-POS-c88128cb-7
0.429
EDG-MED-b8f93667-3
0.429
PET-UNK-b78139fa-16
0.426
MAT-POS-edabd372-2
0.425
LUO-POS-3b937086-1
0.424
MAT-POS-c88128cb-8
0.424
EDJ-MED-b2a1399d-3
0.423
PET-UNK-5ad1c31a-5
0.422
PET-UNK-5ad1c31a-6
0.422
PET-UNK-5ad1c31a-12
0.422
PET-UNK-5ad1c31a-11
0.422
RAL-THA-176e263b-4
0.422
MAT-POS-22e8b45a-2
0.422
EDG-MED-b8f93667-4
0.421
BEN-DND-d1eb1f41-10
0.420
MAT-POS-86c60949-2
0.420
BEN-DND-c852c98b-3
0.418
MAT-POS-c88128cb-9
0.418
LUO-POS-e3baa4d7-1
0.415
MAT-POS-c88128cb-6
0.415
MAT-POS-c88128cb-3
0.415
MAT-POS-666635d5-2
0.413
MAT-POS-83f73d0a-1
0.413
LUO-POS-433ce175-1
0.407
PET-UNK-4b4f2bb7-6
0.407
MAT-POS-c88128cb-10
0.407
ALP-POS-93b3621f-3
0.405
PET-UNK-022eab87-2
0.404
EDJ-MED-70ab3faf-2
0.404
EDJ-MED-c3ea9889-2
0.397
PET-UNK-b78139fa-15
0.396
EDJ-MED-b2a1399d-1
0.393
MAT-POS-c88128cb-1
0.393
EDG-MED-b8f93667-6
0.393
EDG-MED-b8f93667-5
0.393
PET-UNK-7bb24635-1
0.393
EDJ-MED-c3ea9889-1
0.388
MAT-POS-2e8b2191-4
0.387
LUO-POS-c9faae85-1
0.387
EDJ-MED-70ab3faf-3
0.387
MIC-UNK-ea4eb352-1
0.386
EDJ-MED-211392e3-1
0.386
MAT-POS-97ec4bd1-2
0.386
MAT-POS-c88128cb-2
0.386
MAT-POS-5c19d660-2
0.386
MAT-POS-97ec4bd1-3
0.385
PET-UNK-407a74a5-6
0.384
MAT-POS-97ec4bd1-1
0.383
PET-UNK-1abb40f2-2
0.383
EDJ-MED-670ad2ee-4
0.383
PET-UNK-1abb40f2-4
0.383
EDJ-MED-841e0cf0-4
0.383
EDJ-MED-e4b030d8-13
0.382
MAT-POS-8e4737f4-1
0.382
DAR-DIA-6a508060-10
0.382
BEN-DND-a7517465-4
0.382
EDJ-MED-9e38fd34-2
0.380
EDJ-MED-9e38fd34-1
0.380
EDJ-MED-9e38fd34-3
0.380
PET-UNK-4b4f2bb7-7
0.379
EDG-MED-b8f93667-7
0.379
EDG-MED-b8f93667-8
0.379
MAT-POS-af1eef35-3
0.378
BEN-DND-d6f8d3c6-1
0.378