Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccncc1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 366.04 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-919546f0-1
MAK-UNK-919546f0-1
1.000
MAK-UNK-f481d203-1
1.000
BRU-CON-c4e3408a-1
0.714
MAT-POS-b3e365b9-4
0.714
MAT-POS-b3e365b9-3
0.714
DAR-DIA-6a508060-6
0.714
JAN-GHE-f4ca5a00-13
0.714
LON-WEI-0a73fcb8-7
0.675
EDJ-MED-e9694d2b-1
0.675
ERI-UCB-9c7ec71b-2
0.675
NAU-LAT-b7d8c353-5
0.632
BEN-DND-4f474d93-3
0.631
ALP-POS-ce760d3f-2
0.631
BEN-DND-4f474d93-1
0.631
ALP-POS-ce760d3f-3
0.624
BEN-DND-4f474d93-2
0.624
BEN-DND-a7517465-7
0.621
BEN-DND-c852c98b-5
0.614
NAU-LAT-b7d8c353-6
0.611
RAL-THA-3d7a794f-4
0.585
BEN-DND-c852c98b-3
0.578
MAT-POS-f7918075-1
0.575
MAT-POS-b3e365b9-1
0.575
MAT-POS-b3e365b9-2
0.575
VLA-UCB-1dbca3b4-15
0.575
ALF-EVA-5b152d2f-2
0.573
ADA-UCB-dc2b944c-8
0.573
EDJ-MED-fb4b7746-2
0.573
MAK-UNK-8be7dca9-9
0.573
BEN-DND-a7517465-10
0.568
EDG-MED-5d232de5-1
0.568
BEN-DND-c852c98b-4
0.568
ALP-POS-696356e4-1
0.568
BEN-DND-c852c98b-8
0.568
ALP-POS-ce760d3f-7
0.568
EDG-MED-5d232de5-2
0.568
BEN-DND-a7517465-1
0.567
JAG-UCB-c61058a9-7
0.565
JOH-UNI-1b27fa5e-7
0.565
BEN-DND-a7517465-3
0.562
BEN-DND-a7517465-5
0.562
BEN-DND-a7517465-2
0.562
MAT-POS-f9802937-7
0.560
EDG-MED-0e5afe9d-1
0.559
EDJ-MED-fb4b7746-4
0.559
VLA-UCB-53bdeed6-3
0.558
EDG-MED-0e5afe9d-2
0.556
EDJ-MED-fb4b7746-3
0.556
BEN-DND-c852c98b-1
0.554
BEN-DND-a7517465-11
0.554
EDJ-MED-fb4b7746-1
0.554
MAT-POS-2bb0cf2b-2
0.554
ALF-EVA-ced740bd-1
0.554
JAG-UCB-c61058a9-11
0.552
JOH-UNI-1b27fa5e-6
0.552
JOH-UNI-1b27fa5e-5
0.551
ADA-UCB-dc2b944c-12
0.551
JOH-SUS-a69c159d-1
0.551
BEN-DND-a7517465-8
0.549
WIL-UCB-7ba4ac3a-1
0.549
BEN-DND-c852c98b-10
0.549
MAK-UNK-8be7dca9-7
0.549
BEN-DND-a7517465-6
0.548
MAK-UNK-8be7dca9-8
0.548
ALF-EVA-ced740bd-2
0.548
JAG-UCB-c61058a9-22
0.547
NAU-LAT-b7d8c353-2
0.543
JOH-UNI-f51e3bbc-2
0.543
MAK-UNK-8be7dca9-2
0.543
JOH-UNI-16fcdf60-1
0.541
NAU-LAT-b7d8c353-1
0.540
JAG-UCB-52b62a6f-13
0.538
JAG-UCB-52b62a6f-16
0.538
MAK-UNK-8be7dca9-5
0.538
BEN-DND-c852c98b-7
0.538
BEN-DND-a7517465-9
0.537
BEN-DND-c852c98b-9
0.537
NAU-LAT-8502cac5-16
0.535
RAL-THA-3d7a794f-2
0.534
RAL-THA-3d7a794f-3
0.534
JOH-SUS-a69c159d-2
0.533
JOH-UNI-f51e3bbc-1
0.533
ADA-UCB-b1b30a00-8
0.533
EDJ-MED-eff36d94-1
0.533
ALP-POS-ce760d3f-4
0.533
ALF-EVA-5b152d2f-7
0.532
MAK-UNK-8be7dca9-6
0.532
NAU-LAT-b7d8c353-8
0.532
ALF-EVA-5b152d2f-5
0.532
RAL-THA-b74298ba-1
0.529
BEN-DND-b89db3f2-2
0.529
NAU-LAT-b7d8c353-4
0.529
NAU-LAT-8502cac5-10
0.529
RAL-THA-3d7a794f-1
0.529
PET-UNK-3e029fdc-1
0.529
ADA-UCB-dc2b944c-11
0.527
BEN-DND-c852c98b-6
0.526
ALF-EVA-5b152d2f-8
0.526
JAG-UCB-c61058a9-6
0.523
VLA-UCB-50c39ae8-13
0.522