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-f481d203-1
1.000
MAK-UNK-f481d203-2
1.000
BRU-CON-c4e3408a-1
0.714
MAT-POS-b3e365b9-3
0.714
MAT-POS-b3e365b9-4
0.714
DAR-DIA-6a508060-6
0.714
JAN-GHE-f4ca5a00-13
0.714
LON-WEI-0a73fcb8-7
0.675
ERI-UCB-9c7ec71b-2
0.675
EDJ-MED-e9694d2b-1
0.675
NAU-LAT-b7d8c353-5
0.632
ALP-POS-ce760d3f-2
0.631
BEN-DND-4f474d93-1
0.631
BEN-DND-4f474d93-3
0.631
BEN-DND-4f474d93-2
0.624
ALP-POS-ce760d3f-3
0.624
MAT-POS-7ddaf7de-4
0.622
MAT-POS-afb6844f-1
0.622
BEN-DND-a7517465-7
0.621
ERI-UCB-8d4e5055-4
0.614
BEN-DND-c852c98b-5
0.614
EDJ-MED-51d3200d-3
0.612
MAT-POS-afb6844f-3
0.612
NAU-LAT-b7d8c353-6
0.611
MAT-POS-afb6844f-2
0.607
MAT-POS-7ddaf7de-2
0.607
ERI-UCB-8d4e5055-3
0.607
PET-UNK-7f7e354d-1
0.598
TET-ENA-382364b7-1
0.593
PET-UNK-b1ef24dc-8
0.593
EDJ-MED-51d3200d-4
0.588
RAL-THA-3d7a794f-4
0.585
MAT-POS-d8472c4f-6
0.584
MAT-POS-14f31916-1
0.584
MAT-POS-8293a91a-1
0.583
MAT-POS-acfe5bae-1
0.582
MAT-POS-ee5e8e94-2
0.582
MAT-POS-a2421bb6-4
0.581
ALP-POS-b3e0acc5-2
0.581
MIC-UNK-b904ca85-2
0.580
PET-UNK-e274cad4-7
0.580
MAT-POS-14f31916-5
0.580
MAT-POS-14f31916-4
0.578
BEN-DND-c852c98b-3
0.578
MAT-POS-1f3c8e6f-1
0.576
TET-ENA-1a76f195-1
0.576
MAT-POS-a2421bb6-1
0.575
VLA-UCB-1dbca3b4-15
0.575
PET-UNK-b1ef24dc-7
0.575
MIC-UNK-7574fcc6-2
0.575
PET-UNK-b1ef24dc-5
0.575
MAT-POS-b3e365b9-1
0.575
MAT-POS-b3e365b9-2
0.575
MAT-POS-afb6844f-4
0.575
MAT-POS-f7918075-1
0.575
JAG-UCB-571deb56-2
0.574
MAK-UNK-8be7dca9-9
0.573
ALF-EVA-5b152d2f-2
0.573
ADA-UCB-dc2b944c-8
0.573
EDJ-MED-fb4b7746-2
0.573
RAL-THA-b9d6aec1-1
0.570
RAL-THA-b9d6aec1-2
0.570
EDG-MED-5d232de5-1
0.568
BEN-DND-c852c98b-8
0.568
ALP-POS-ce760d3f-7
0.568
EDG-MED-5d232de5-2
0.568
PET-UNK-b38839dc-3
0.568
EDJ-MED-ba7e64f2-1
0.568
BEN-DND-c852c98b-4
0.568
ALP-POS-696356e4-1
0.568
BEN-DND-a7517465-10
0.568
MAT-POS-a2421bb6-2
0.567
EDJ-MED-51d3200d-1
0.567
BEN-DND-a7517465-1
0.567
PET-UNK-e274cad4-2
0.567
EDJ-MED-51d3200d-2
0.567
MIC-UNK-b904ca85-1
0.565
RAL-THA-b9d6aec1-3
0.565
JAG-UCB-c61058a9-7
0.565
JOH-UNI-1b27fa5e-7
0.565
MAT-POS-1ecf5680-1
0.564
JAG-UCB-571deb56-4
0.562
PET-UNK-b1ef24dc-6
0.562
MAT-POS-afb6844f-5
0.562
BEN-DND-a7517465-3
0.562
BEN-DND-a7517465-5
0.562
BEN-DND-a7517465-2
0.562
MAT-POS-8040981b-1
0.560
MAT-POS-f9802937-7
0.560
MAT-POS-14f31916-2
0.560
PET-UNK-ee8352fa-4
0.560
MAT-POS-acfe5bae-5
0.560
MAT-POS-a3f7f96a-2
0.560
EDG-MED-0e5afe9d-1
0.559
MAT-POS-ee5e8e94-1
0.559
EDJ-MED-fb4b7746-4
0.559
MAT-POS-14f31916-3
0.559
VLA-UCB-53bdeed6-3
0.558
EDG-MED-0e5afe9d-2
0.556
PET-UNK-03fd2068-1
0.556