Molecular Properties | |
SMILES: | Cc1cnsc1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 308.04 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UNK-4cf5aa07-1
MAT-POS-a3f7f96a-2
0.636
MAT-POS-b5c94171-1
0.620
MAT-POS-b3e365b9-4
0.608
BRU-CON-c4e3408a-1
0.608
JAN-GHE-f4ca5a00-13
0.608
DAR-DIA-6a508060-6
0.608
MAT-POS-b3e365b9-3
0.608
RAL-THA-3d7a794f-4
0.603
MAT-POS-8293a91a-1
0.600
TAT-ENA-0e28ea53-1
0.600
MAT-POS-7ddaf7de-4
0.600
PET-UNK-158bee2a-5
0.593
MAT-POS-1f3c8e6f-1
0.593
VLA-UNK-0ffe3317-7
0.593
PET-UNK-b1ef24dc-8
0.590
MAT-POS-500f4700-1
0.585
RAL-THA-b74298ba-1
0.582
MAT-POS-afb6844f-1
0.580
PET-UNK-b1ef24dc-6
0.576
LON-WEI-0a73fcb8-6
0.573
JAG-UCB-c61058a9-44
0.573
NAU-LAT-8502cac5-16
0.568
RAL-THA-b74298ba-3
0.568
EDG-MED-fe7487f8-9
0.568
MAT-POS-afb6844f-2
0.566
RAL-THA-3d7a794f-3
0.566
RAL-THA-3d7a794f-2
0.566
NAU-LAT-8502cac5-10
0.562
RAL-THA-3d7a794f-1
0.561
JAG-UCB-c61058a9-22
0.561
PET-UNK-3e029fdc-1
0.561
MAT-POS-51833a24-3
0.558
MAT-POS-51833a24-4
0.557
JOH-UNI-16fcdf60-1
0.556
JAG-UCB-c61058a9-6
0.556
NAU-LAT-b7d8c353-1
0.554
MAK-UNK-919546f0-1
0.554
MAK-UNK-f481d203-1
0.554
VLA-UCB-53bdeed6-3
0.554
MAK-UNK-f481d203-2
0.554
MAT-POS-afb6844f-3
0.553
JAG-UCB-c61058a9-32
0.552
MAT-POS-51833a24-5
0.552
JAG-UCB-a3ef7265-20
0.549
NAU-LAT-b7d8c353-7
0.549
NAU-LAT-8502cac5-11
0.549
JAG-UCB-c61058a9-21
0.549
JAG-UCB-c61058a9-41
0.549
MAT-POS-968e8d9c-1
0.549
JAG-UCB-119787ef-1
0.549
RAL-THA-b74298ba-2
0.548
JAG-UCB-c61058a9-2
0.548
JOH-SUS-a69c159d-1
0.547
JOH-UNI-1b27fa5e-5
0.547
ADA-UCB-dc2b944c-12
0.547
BEN-DND-a7517465-1
0.545
MAT-POS-14f31916-1
0.545
MAT-POS-d8472c4f-6
0.545
MAT-POS-51833a24-2
0.545
PET-UNK-158bee2a-11
0.543
JOH-UNI-1b27fa5e-7
0.542
JAG-UCB-c61058a9-9
0.542
JAG-UCB-c61058a9-7
0.542
MAT-POS-a2421bb6-4
0.541
MIC-UNK-b904ca85-2
0.540
JAG-UCB-52b62a6f-11
0.539
MAT-POS-14f31916-4
0.539
LON-WEI-0a73fcb8-7
0.536
EDG-MED-fe7487f8-8
0.536
ERI-UCB-9c7ec71b-4
0.536
JOH-UNI-d0d90dc1-3
0.536
ERI-UCB-9c7ec71b-2
0.536
EDJ-MED-e9694d2b-1
0.536
MAT-POS-51833a24-1
0.535
MAT-POS-afb6844f-4
0.535
BEN-DND-02317c5c-3
0.535
ALF-EVA-5b152d2f-2
0.534
NAU-LAT-8502cac5-15
0.530
VLA-UCB-53bdeed6-2
0.530
JOH-UNI-1b27fa5e-6
0.529
EDJ-MED-51d3200d-4
0.529
JAG-UCB-c61058a9-11
0.529
ROB-UNI-569bc02e-3
0.529
JAG-UCB-52b62a6f-9
0.529
NAU-LAT-8502cac5-13
0.529
RAL-THA-9041a04d-6
0.529
RAL-THA-04c5403f-1
0.529
PET-UNK-b38839dc-3
0.529
RAL-THA-9041a04d-5
0.529
ADA-UCB-dc2b944c-10
0.528
BEN-DND-b89db3f2-2
0.524
NAU-LAT-b7d8c353-4
0.524
ALP-POS-b3e0acc5-2
0.523
MIC-UNK-deda7a44-6
0.523
PET-UNK-7f7e354d-1
0.523
NAU-LAT-8502cac5-14
0.523
BEN-DND-a7517465-5
0.523
MAT-POS-afb6844f-5
0.523
RAL-THA-9041a04d-3
0.523
MAT-POS-14f31916-5
0.523