Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 618.06 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 142.61 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
high halogen content (>3)
EDJ-MED-c3ea9889-3
0.806
EDJ-MED-dac03e7f-1
0.804
EDJ-MED-dac03e7f-8
0.785
EDJ-MED-dac03e7f-2
0.761
EDJ-MED-dac03e7f-3
0.748
EDG-MED-b8f93667-6
0.722
EDG-MED-b8f93667-8
0.716
EDG-MED-b8f93667-2
0.703
EDJ-MED-c3ea9889-2
0.679
EDG-MED-b8f93667-4
0.679
EDJ-MED-b2a1399d-1
0.646
EDJ-MED-b2a1399d-2
0.637
EDJ-MED-dac03e7f-5
0.632
EDJ-MED-3bfd841e-1
0.628
EDJ-MED-c3ea9889-1
0.614
EDJ-MED-dac03e7f-6
0.597
LUO-POS-c9faae85-1
0.588
EDJ-MED-dac03e7f-7
0.587
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
EDG-MED-b8f93667-5
0.576
EDG-MED-b8f93667-7
0.571
EDJ-MED-70ab3faf-2
0.571
MAT-POS-c88128cb-14
0.566
PET-UNK-5ad1c31a-6
0.560
PET-UNK-5ad1c31a-12
0.560
PET-UNK-5ad1c31a-5
0.547
PET-UNK-6e612674-7
0.547
PET-UNK-5ad1c31a-11
0.547
PET-UNK-6e612674-15
0.547
EDG-MED-b8f93667-1
0.545
MAT-POS-c88128cb-5
0.534
LUO-POS-66f38ea0-1
0.534
LUO-POS-3b937086-1
0.533
MAT-POS-c88128cb-8
0.533
EDJ-MED-b2a1399d-4
0.533
MAT-POS-83f73d0a-4
0.530
EDJ-MED-b2a1399d-3
0.528
EDG-MED-b8f93667-3
0.517
MAT-POS-c88128cb-4
0.513
MAT-POS-c88128cb-7
0.512
MAT-POS-c88128cb-9
0.512
PET-UNK-6e612674-3
0.504
PET-UNK-6e612674-11
0.504
MAT-POS-c88128cb-3
0.500
MAT-POS-c88128cb-6
0.500
MAT-POS-c88128cb-10
0.500
LUO-POS-e3baa4d7-1
0.500
MAT-POS-666635d5-1
0.496
EDJ-MED-c3ea9889-4
0.496
EDJ-MED-211392e3-2
0.488
EDJ-MED-e69ed63d-18
0.485
MAT-POS-83f73d0a-3
0.474
EDJ-MED-70ab3faf-3
0.448
EDJ-MED-c3ea9889-5
0.443
PET-UNK-6e612674-6
0.442
PET-UNK-6e612674-14
0.442
PET-UNK-6e612674-8
0.438
PET-UNK-6e612674-16
0.438
EDJ-MED-f9b78f78-1
0.430
EDJ-MED-93390d0c-2
0.423
MAT-POS-c88128cb-13
0.423
MIC-UNK-54748b58-2
0.419
EDJ-MED-93390d0c-3
0.409
PET-UNK-6e612674-5
0.409
PET-UNK-6e612674-13
0.409
EDG-MED-ee636701-1
0.405
PET-UNK-6e612674-4
0.403
PET-UNK-6e612674-12
0.403
EDJ-MED-e69ed63d-8
0.403
PET-UNK-6e612674-2
0.402
PET-UNK-6e612674-10
0.402
EDJ-MED-841e0cf0-4
0.400
EDJ-MED-670ad2ee-4
0.400
EDJ-MED-ede277f6-6
0.397
MAT-POS-5c19d660-1
0.397
EDJ-MED-e69ed63d-12
0.396
EDJ-MED-c99b2211-4
0.396
EDJ-MED-d165ed91-4
0.396
EDJ-MED-ede277f6-12
0.394
PET-UNK-5ad1c31a-3
0.394
PET-UNK-5ad1c31a-10
0.394
PET-UNK-5ad1c31a-4
0.394
PET-UNK-5ad1c31a-9
0.394
EDJ-MED-7889e8da-5
0.391
EDJ-MED-0186a59b-3
0.391
EDG-MED-10fcb19e-4
0.391
ALP-POS-1cbc2fae-1
0.390
MAT-POS-806462de-1
0.390
MAT-POS-806462de-2
0.390
EDJ-MED-d165ed91-2
0.385
EDJ-MED-41558c53-4
0.385
EDJ-MED-41558c53-8
0.385
EDJ-MED-e69ed63d-14
0.384
EDJ-MED-e69ed63d-16
0.384
EDJ-MED-c99b2211-3
0.384