Molecular Properties | |
SMILES: | COCCN1CC(C)(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 459.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
LUO-POS-e3baa4d7-1
1.000
MAT-POS-c88128cb-6
0.792
LUO-POS-c9faae85-1
0.789
MAT-POS-83f73d0a-4
0.774
EDG-MED-b8f93667-1
0.760
LUO-POS-868e8996-2
0.750
MAT-POS-e119ab4f-5
0.750
LUO-POS-868e8996-1
0.750
MIK-ENA-e76e31f3-1
0.750
MIK-ENA-f5fe7855-1
0.750
MIK-ENA-d22671f7-1
0.750
MAT-POS-c88128cb-4
0.742
MAT-POS-83f73d0a-3
0.739
PET-UNK-5ad1c31a-12
0.735
PET-UNK-5ad1c31a-11
0.735
PET-UNK-5ad1c31a-5
0.735
PET-UNK-5ad1c31a-6
0.735
LUO-POS-66f38ea0-1
0.735
MAT-POS-c88128cb-5
0.735
EDG-MED-b8f93667-2
0.728
MAT-POS-c88128cb-7
0.716
LUO-POS-3b937086-1
0.713
MAT-POS-c88128cb-8
0.713
MAT-POS-c88128cb-10
0.679
MAT-POS-c88128cb-9
0.679
PET-UNK-1abb40f2-2
0.624
PET-UNK-1abb40f2-4
0.624
MIC-UNK-54748b58-2
0.593
EDJ-MED-c3ea9889-2
0.590
PET-UNK-5ad1c31a-3
0.587
PET-UNK-5ad1c31a-4
0.587
PET-UNK-5ad1c31a-9
0.587
PET-UNK-5ad1c31a-10
0.587
EDJ-MED-70ab3faf-1
0.574
EDJ-MED-3bfd841e-1
0.573
MAT-POS-806462de-2
0.569
MAT-POS-806462de-1
0.569
ALP-POS-1cbc2fae-1
0.569
EDG-MED-b8f93667-5
0.562
EDJ-MED-c3ea9889-1
0.559
EDG-MED-b8f93667-3
0.557
PET-UNK-757f8bc8-7
0.555
EDJ-MED-b2a1399d-3
0.552
PET-UNK-022eab87-2
0.549
EDG-MED-b8f93667-6
0.549
EDJ-MED-c3ea9889-3
0.549
EDJ-MED-b2a1399d-4
0.544
EDG-MED-b8f93667-7
0.544
PET-UNK-ad758083-5
0.541
EDJ-MED-dac03e7f-5
0.538
EDG-MED-b8f93667-4
0.532
EDG-MED-b8f93667-8
0.530
EDJ-MED-dac03e7f-6
0.530
PET-UNK-1abb40f2-1
0.528
ALP-POS-e266d783-2
0.528
PET-UNK-1abb40f2-3
0.528
MAT-UNK-28cf4d29-1
0.528
MAT-POS-89bd6af1-3
0.528
EDJ-MED-dac03e7f-8
0.525
MIC-UNK-ea4eb352-1
0.523
EDJ-MED-211392e3-1
0.523
EDJ-MED-dac03e7f-7
0.521
EDJ-MED-c3ea9889-4
0.518
MAT-POS-666635d5-1
0.518
EDJ-MED-dac03e7f-1
0.517
PET-UNK-c0891748-3
0.509
PET-UNK-c0891748-9
0.509
PET-UNK-ad758083-4
0.509
ALP-POS-c56c1477-4
0.509
MAT-POS-89bd6af1-1
0.509
EDJ-MED-dac03e7f-2
0.508
EDJ-MED-82bd779b-1
0.500
PET-UNK-ad758083-1
0.500
EDJ-MED-2f867453-1
0.500
PET-UNK-757f8bc8-6
0.500
EDJ-MED-dac03e7f-3
0.500
EDJ-MED-dac03e7f-4
0.500
LUO-POS-868e8996-5
0.496
MAT-POS-853c0ffa-2
0.496
LUO-POS-868e8996-6
0.496
PET-UNK-0d6841fa-7
0.496
PET-UNK-757f8bc8-8
0.496
ALP-POS-e266d783-1
0.496
EDJ-MED-43f8f7d6-5
0.496
BEN-DND-a7517465-4
0.495
EDJ-MED-e4b030d8-13
0.495
MAT-POS-8e4737f4-1
0.495
DAR-DIA-6a508060-10
0.495
RAL-THA-a9c31980-7
0.491
PET-UNK-29afea89-2
0.491
EDJ-MED-d08626de-2
0.491
EDJ-MED-d08626de-1
0.491
EDG-MED-0e5afe9d-3
0.491
PET-UNK-0d6841fa-5
0.487
PET-UNK-3bb57da2-3
0.487
MAT-POS-89bd6af1-4
0.486
MAT-POS-83a7b0a0-1
0.486
EDJ-MED-b1cef252-1
0.486
PET-UNK-9bf1291a-3
0.486
PET-UNK-1b92fa34-5
0.486