Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CN(CC(=O)NC2COC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 592.09 |
Fraction sp3: | 0.32 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 151.84 |
cLogP: | 1.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
Oxetanes, thietanes
EDJ-MED-dac03e7f-2
0.882
EDJ-MED-c3ea9889-3
0.806
EDG-MED-b8f93667-8
0.781
EDJ-MED-dac03e7f-7
0.778
EDJ-MED-dac03e7f-1
0.755
EDJ-MED-dac03e7f-4
0.748
EDG-MED-b8f93667-6
0.738
EDJ-MED-b2a1399d-4
0.731
EDJ-MED-b2a1399d-3
0.705
EDG-MED-b8f93667-2
0.703
EDJ-MED-dac03e7f-6
0.681
EDG-MED-b8f93667-4
0.679
EDJ-MED-c3ea9889-2
0.664
EDJ-MED-b2a1399d-2
0.637
EDJ-MED-b2a1399d-1
0.632
EDJ-MED-c3ea9889-1
0.614
EDJ-MED-3bfd841e-1
0.614
EDG-MED-b8f93667-7
0.612
LUO-POS-3b937086-1
0.586
MAT-POS-c88128cb-8
0.586
MIK-ENA-d22671f7-1
0.584
MAT-POS-e119ab4f-5
0.584
LUO-POS-868e8996-1
0.584
MIK-ENA-e76e31f3-1
0.584
MIK-ENA-f5fe7855-1
0.584
LUO-POS-868e8996-2
0.584
EDJ-MED-dac03e7f-5
0.579
EDJ-MED-dac03e7f-8
0.579
EDG-MED-b8f93667-5
0.576
LUO-POS-c9faae85-1
0.574
EDJ-MED-70ab3faf-2
0.571
MAT-POS-c88128cb-14
0.566
PET-UNK-6e612674-7
0.560
PET-UNK-6e612674-15
0.560
PET-UNK-5ad1c31a-6
0.547
MAT-POS-c88128cb-5
0.547
LUO-POS-66f38ea0-1
0.547
PET-UNK-5ad1c31a-12
0.547
MAT-POS-c88128cb-9
0.537
PET-UNK-5ad1c31a-5
0.534
PET-UNK-5ad1c31a-11
0.534
EDG-MED-b8f93667-1
0.533
MAT-POS-83f73d0a-4
0.530
MAT-POS-c88128cb-10
0.524
MAT-POS-c88128cb-4
0.513
EDG-MED-b8f93667-3
0.504
MAT-POS-c88128cb-3
0.500
MAT-POS-c88128cb-6
0.500
LUO-POS-e3baa4d7-1
0.500
MAT-POS-666635d5-1
0.496
EDJ-MED-c3ea9889-4
0.496
PET-UNK-6e612674-3
0.492
PET-UNK-6e612674-11
0.492
EDJ-MED-e69ed63d-5
0.488
EDJ-MED-d165ed91-3
0.488
MAT-POS-c88128cb-7
0.488
EDJ-MED-211392e3-2
0.488
MAT-POS-83f73d0a-3
0.474
PET-UNK-6e612674-8
0.472
PET-UNK-6e612674-16
0.472
EDJ-MED-c3ea9889-5
0.467
EDJ-MED-f9b78f78-1
0.442
PET-UNK-6e612674-6
0.442
PET-UNK-6e612674-14
0.442
EDG-MED-ee636701-1
0.438
EDJ-MED-70ab3faf-3
0.437
EDJ-MED-93390d0c-2
0.434
EDJ-MED-ede277f6-8
0.429
MIC-UNK-54748b58-2
0.419
EDJ-MED-e69ed63d-4
0.418
EDJ-MED-ede277f6-12
0.415
PET-UNK-6e612674-4
0.414
PET-UNK-6e612674-12
0.414
EDJ-MED-e69ed63d-10
0.412
MAT-POS-c88128cb-13
0.411
EDJ-MED-93390d0c-3
0.409
PET-UNK-6e612674-5
0.409
PET-UNK-6e612674-13
0.409
MAT-POS-7ddaf7de-2
0.407
ERI-UCB-8d4e5055-3
0.407
EDG-MED-10fcb19e-4
0.402
EDJ-MED-7889e8da-5
0.402
EDJ-MED-0186a59b-3
0.402
EDJ-MED-e69ed63d-12
0.396
EDJ-MED-c99b2211-4
0.396
EDJ-MED-d165ed91-4
0.396
EDJ-MED-41558c53-8
0.396
EDJ-MED-c99b2211-3
0.394
EDJ-MED-e69ed63d-8
0.393
EDG-MED-ee636701-4
0.393
EDJ-MED-6bf93aa8-1
0.392
EDJ-MED-41558c53-10
0.392
MAT-POS-2e8b2191-12
0.391
EDJ-MED-0186a59b-7
0.391
ALP-POS-1cbc2fae-1
0.390
MAT-POS-806462de-1
0.390
MAT-POS-806462de-2
0.390
EDJ-MED-7889e8da-6
0.390
EDJ-MED-378a25ea-9
0.390
MIC-UNK-7f86385f-1
0.389