Molecular Properties | |
SMILES: | Cc1ncc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)c2ccccc12 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-SUS-a69c159d-1
1.000
JOH-SUS-a69c159d-2
0.732
ADA-UCB-dc2b944c-11
0.723
JOH-UNI-f51e3bbc-2
0.718
RAL-THA-b00e3cbf-1
0.714
JOH-SUS-a69c159d-3
0.714
JOH-SUS-a69c159d-4
0.714
MAT-POS-b3e365b9-1
0.640
MAT-POS-f7918075-1
0.640
VLA-UCB-1dbca3b4-15
0.640
MAT-POS-b3e365b9-2
0.640
JOH-UNI-1b27fa5e-1
0.618
MAT-POS-8293a91a-1
0.612
ADA-UCB-dc2b944c-10
0.611
MAT-POS-1f3c8e6f-1
0.605
ADA-UCB-dc2b944c-8
0.600
EDJ-MED-ba7e64f2-2
0.596
JOH-UNI-f51e3bbc-1
0.596
MAT-POS-d8472c4f-6
0.593
MAT-POS-14f31916-1
0.593
MAT-POS-afb6844f-1
0.593
NAU-LAT-b7d8c353-8
0.591
MAK-UNK-8be7dca9-6
0.591
ALF-EVA-5b152d2f-2
0.582
BRU-CON-c4e3408a-1
0.581
MAT-POS-b3e365b9-4
0.581
MAT-POS-b3e365b9-3
0.581
JAN-GHE-f4ca5a00-13
0.581
DAR-DIA-6a508060-6
0.581
JOH-UNI-1b27fa5e-6
0.580
JOH-UNI-1b27fa5e-5
0.578
JOH-SUS-a69c159d-5
0.576
MAT-POS-7ddaf7de-4
0.575
JOH-UNI-1b27fa5e-7
0.575
PET-UNK-f4e47ebd-3
0.568
ERI-UCB-9c7ec71b-2
0.568
PET-UNK-158bee2a-5
0.568
EDJ-MED-e9694d2b-1
0.568
VLA-UNK-0ffe3317-7
0.568
MAT-POS-afb6844f-3
0.567
PET-UNK-b1ef24dc-7
0.567
BEN-DND-4f474d93-3
0.567
ALP-POS-ce760d3f-2
0.567
BEN-DND-4f474d93-1
0.567
PET-UNK-b1ef24dc-8
0.567
BEN-DND-a7517465-11
0.564
MAT-POS-afb6844f-2
0.562
PET-UNK-b38839dc-3
0.560
EDG-MED-5d232de5-2
0.560
ALP-POS-ce760d3f-7
0.560
ALP-POS-ce760d3f-3
0.560
EDJ-MED-ba7e64f2-1
0.560
BEN-DND-4f474d93-2
0.560
EDG-MED-5d232de5-1
0.560
BEN-DND-c852c98b-4
0.560
ALP-POS-696356e4-1
0.560
ADA-UCB-b1b30a00-8
0.559
ADA-UCB-dc2b944c-9
0.559
PET-UNK-ee8352fa-6
0.558
TAT-ENA-0e28ea53-1
0.557
VLA-UNK-0ffe3317-1
0.556
JAG-UCB-c61058a9-45
0.554
MAT-POS-14f31916-5
0.554
MIC-UNK-b904ca85-2
0.554
FRA-DIA-e29753f2-1
0.554
NAU-LAT-b7d8c353-3
0.554
VLA-UCB-05e51b3f-18
0.554
VLA-UCB-50c39ae8-11
0.554
BEN-DND-b89db3f2-1
0.554
PET-UNK-7f7e354d-1
0.554
ERI-UCB-8d4e5055-4
0.553
BEN-DND-c852c98b-5
0.553
PET-UNK-ee8352fa-4
0.553
BEN-DND-c852c98b-3
0.553
MAT-POS-f9802937-7
0.553
PET-UNK-f4e47ebd-4
0.552
PET-UNK-b38839dc-5
0.552
MAK-UNK-919546f0-1
0.551
MAK-UNK-f481d203-2
0.551
MAK-UNK-f481d203-1
0.551
LON-WEI-0a73fcb8-7
0.551
MAK-UNK-8be7dca9-9
0.548
JOH-UNI-1b27fa5e-2
0.548
PET-UNK-03fd2068-1
0.548
RUB-POS-1325a9ea-10
0.547
ERI-UCB-8d4e5055-3
0.547
MAT-POS-7ddaf7de-2
0.547
PET-UNK-158bee2a-7
0.547
MAT-POS-500f4700-1
0.544
EDJ-MED-51d3200d-4
0.544
JAG-UCB-52b62a6f-17
0.543
MAK-UNK-8be7dca9-7
0.543
BEN-DND-a7517465-7
0.543
JOH-UNI-f51e3bbc-3
0.543
EDJ-MED-eff36d94-1
0.543
BEN-DND-a7517465-1
0.543
ALP-POS-ce760d3f-4
0.543
WIL-UCB-7ba4ac3a-1
0.543
MAT-POS-ee5e8e94-2
0.542
PET-UNK-ee8352fa-5
0.542