Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CN(CC2COC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 549.08 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 122.74 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
Oxetanes, thietanes
ALP-POS-1cbc2fae-1
EDG-MED-b8f93667-6
0.884
EDG-MED-b8f93667-7
0.782
EDJ-MED-dac03e7f-3
0.781
EDJ-MED-c3ea9889-3
0.772
MAT-POS-c88128cb-8
0.752
LUO-POS-3b937086-1
0.752
EDG-MED-b8f93667-2
0.750
EDJ-MED-dac03e7f-2
0.745
EDG-MED-b8f93667-4
0.727
EDJ-MED-dac03e7f-1
0.722
EDJ-MED-dac03e7f-4
0.716
EDJ-MED-b2a1399d-1
0.689
EDG-MED-b8f93667-5
0.689
EDJ-MED-b2a1399d-2
0.679
LUO-POS-66f38ea0-1
0.657
MAT-POS-c88128cb-5
0.657
MAT-POS-c88128cb-9
0.640
EDJ-MED-c3ea9889-2
0.613
MAT-POS-c88128cb-10
0.611
EDJ-MED-70ab3faf-2
0.610
MAT-POS-c88128cb-14
0.604
LUO-POS-c9faae85-1
0.596
PET-UNK-6e612674-7
0.596
PET-UNK-6e612674-15
0.596
EDJ-MED-dac03e7f-7
0.595
EDJ-MED-c3ea9889-1
0.580
EDJ-MED-3bfd841e-1
0.580
EDJ-MED-b2a1399d-4
0.565
EDG-MED-b8f93667-1
0.565
MAT-POS-83f73d0a-4
0.565
EDJ-MED-dac03e7f-6
0.564
PET-UNK-5ad1c31a-5
0.554
PET-UNK-5ad1c31a-11
0.554
PET-UNK-5ad1c31a-12
0.554
PET-UNK-5ad1c31a-6
0.554
MIK-ENA-d22671f7-1
0.550
MIK-ENA-f5fe7855-1
0.550
MAT-POS-e119ab4f-5
0.550
LUO-POS-868e8996-1
0.550
MIK-ENA-e76e31f3-1
0.550
LUO-POS-868e8996-2
0.550
EDJ-MED-b2a1399d-3
0.546
EDJ-MED-dac03e7f-5
0.546
EDJ-MED-dac03e7f-8
0.546
MAT-POS-c88128cb-4
0.545
EDG-MED-b8f93667-3
0.536
MAT-POS-c88128cb-3
0.530
LUO-POS-e3baa4d7-1
0.530
MAT-POS-c88128cb-6
0.530
PET-UNK-6e612674-3
0.522
PET-UNK-6e612674-11
0.522
EDJ-MED-211392e3-2
0.518
MAT-POS-c88128cb-7
0.517
MAT-POS-83f73d0a-3
0.505
EDJ-MED-c3ea9889-5
0.482
PET-UNK-6e612674-8
0.475
PET-UNK-6e612674-16
0.475
EDJ-MED-f9b78f78-1
0.469
EDJ-MED-c3ea9889-4
0.462
MAT-POS-666635d5-1
0.462
EDJ-MED-93390d0c-2
0.461
PET-UNK-6e612674-14
0.456
PET-UNK-6e612674-6
0.456
EDJ-MED-70ab3faf-3
0.450
ERI-UCB-8d4e5055-3
0.443
MAT-POS-7ddaf7de-2
0.443
EDJ-MED-ede277f6-12
0.438
MAT-POS-c88128cb-13
0.436
EDJ-MED-841e0cf0-4
0.436
EDJ-MED-670ad2ee-4
0.436
PET-UNK-6e612674-5
0.433
EDJ-MED-93390d0c-3
0.433
PET-UNK-6e612674-13
0.433
EDJ-MED-7889e8da-6
0.433
EDJ-MED-378a25ea-9
0.433
EDG-MED-ee636701-1
0.427
EDJ-MED-41558c53-10
0.426
EDJ-MED-41558c53-8
0.417
PET-UNK-6e612674-4
0.415
PET-UNK-6e612674-12
0.415
EDJ-MED-6bf93aa8-1
0.415
ALP-POS-1cbc2fae-1
0.414
MAT-POS-806462de-1
0.414
MAT-POS-806462de-2
0.414
EDG-MED-10fcb19e-4
0.413
MIC-UNK-7f86385f-1
0.411
EDJ-MED-41558c53-14
0.409
MAT-POS-5c19d660-1
0.408
EDJ-MED-41558c53-4
0.406
EDJ-MED-d165ed91-2
0.406
EDJ-MED-70ab3faf-1
0.405
MIC-UNK-7f86385f-2
0.405
EDJ-MED-41558c53-6
0.405
PET-UNK-c671f938-7
0.403
PET-UNK-c671f938-3
0.403
EDJ-MED-0186a59b-3
0.402
EDJ-MED-7889e8da-5
0.402
EDJ-MED-e69ed63d-5
0.402
EDJ-MED-d165ed91-3
0.402
PET-UNK-1abb40f2-2
0.400