Molecular Properties | |
SMILES: | CN(c1ccc2c(NC(=O)C3(C)CCS(=O)(=O)c4ccc(Cl)cc43)cncc2c1)S(C)(=O)=O |
MW: | 507.07 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
Hetero_hetero
EDJ-MED-70ab3faf-2
0.734
EDJ-MED-211392e3-3
0.727
EDJ-MED-70ab3faf-1
0.653
EDJ-MED-94fddcec-1
0.561
PET-UNK-09a29654-4
0.550
EDJ-MED-211392e3-2
0.532
EDJ-MED-f9b78f78-2
0.509
PET-UNK-09a29654-6
0.509
ALP-POS-6f6ae286-2
0.505
PET-UNK-4b4f2bb7-5
0.505
PET-UNK-407a74a5-16
0.495
PET-UNK-ab76d8f6-1
0.491
MAT-POS-c88128cb-14
0.491
EDJ-MED-94fddcec-6
0.487
EDG-MED-b8f93667-4
0.486
MAT-POS-90fd5f68-10
0.485
EDJ-MED-b2a1399d-2
0.483
EDJ-MED-c3ea9889-3
0.479
PET-UNK-407a74a5-11
0.477
EDJ-MED-c3ea9889-2
0.473
MAT-POS-c88128cb-13
0.473
PET-UNK-4b4f2bb7-7
0.468
EDG-MED-b8f93667-3
0.468
PET-UNK-b78139fa-14
0.468
EDJ-MED-b2a1399d-1
0.466
EDJ-MED-211392e3-1
0.464
PET-UNK-4b4f2bb7-9
0.464
MIC-UNK-ea4eb352-1
0.464
EDJ-MED-3bfd841e-1
0.462
PET-UNK-7bb24635-2
0.461
PET-UNK-09a29654-5
0.458
PET-UNK-7bb24635-1
0.456
PET-UNK-7bb24635-3
0.456
EDG-MED-b8f93667-6
0.454
MAT-POS-b4d6b7fc-3
0.451
MAT-POS-b4d6b7fc-4
0.451
EDG-MED-b8f93667-8
0.450
PET-UNK-407a74a5-6
0.450
EDJ-MED-c3ea9889-1
0.449
EDJ-MED-dac03e7f-4
0.448
PET-UNK-4b4f2bb7-3
0.447
PET-UNK-0d6841fa-5
0.445
EDJ-MED-dac03e7f-2
0.444
EDG-MED-b8f93667-2
0.443
EDJ-MED-dac03e7f-1
0.440
MAT-POS-22373164-1
0.440
PET-UNK-407a74a5-1
0.438
EDJ-MED-dac03e7f-3
0.437
MAT-POS-806462de-2
0.436
ALP-POS-1cbc2fae-1
0.436
MAT-POS-806462de-1
0.436
LUO-POS-c9faae85-1
0.436
PET-UNK-6e612674-7
0.436
PET-UNK-6e612674-15
0.436
EDJ-MED-dac03e7f-8
0.435
PET-UNK-4b4f2bb7-8
0.434
PET-UNK-4b4f2bb7-6
0.434
PET-UNK-ad758083-5
0.432
PET-UNK-6e612674-11
0.431
PET-UNK-6e612674-3
0.431
EDG-MED-b8f93667-5
0.430
PET-UNK-6e612674-6
0.429
PET-UNK-6e612674-14
0.429
EDJ-MED-dac03e7f-6
0.427
EDG-MED-b8f93667-1
0.426
EDG-MED-b8f93667-7
0.426
PET-UNK-6e612674-8
0.425
PET-UNK-6e612674-16
0.425
EDJ-MED-dac03e7f-5
0.424
PET-UNK-6e612674-4
0.424
PET-UNK-09a29654-1
0.424
PET-UNK-6e612674-12
0.424
PET-UNK-6e612674-10
0.423
PET-UNK-b78139fa-15
0.423
MAT-POS-83f73d0a-3
0.423
PET-UNK-6e612674-2
0.423
EDJ-MED-dac03e7f-7
0.421
PET-UNK-4b4f2bb7-2
0.419
MAT-POS-e119ab4f-5
0.419
LUO-POS-868e8996-1
0.419
MIK-ENA-e76e31f3-1
0.419
MIK-ENA-f5fe7855-1
0.419
MIK-ENA-d22671f7-1
0.419
LUO-POS-868e8996-2
0.419
PET-UNK-6e612674-5
0.419
PET-UNK-6e612674-13
0.419
PET-UNK-b78139fa-18
0.418
PET-UNK-022eab87-2
0.418
PET-UNK-6e612674-1
0.414
PET-UNK-6e612674-9
0.414
PET-UNK-ab76d8f6-3
0.412
PET-UNK-4b4f2bb7-4
0.412
PET-UNK-b38839dc-30
0.412
PET-UNK-a7639856-1
0.412
MAT-POS-83f73d0a-4
0.405
PET-UNK-4b4f2bb7-1
0.405
PET-UNK-329a9ce9-6
0.405
PET-UNK-b78139fa-12
0.404
PET-UNK-ab76d8f6-6
0.404
PET-UNK-ab76d8f6-5
0.400