Molecular Properties | |
SMILES: | O=C(Nc1oncc1C1CC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 318.08 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.36 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-9
0.912
JAG-UCB-c61058a9-7
0.646
JAG-UCB-c61058a9-11
0.610
ERI-UCB-9c7ec71b-2
0.578
EDJ-MED-e9694d2b-1
0.578
VLA-UCB-53bdeed6-2
0.573
JAG-UCB-c61058a9-2
0.571
RAL-THA-3d7a794f-4
0.568
JOH-UNI-16fcdf60-1
0.561
LON-WEI-0a73fcb8-7
0.560
VLA-UCB-53bdeed6-3
0.560
JAG-UCB-c61058a9-41
0.554
NAU-LAT-8502cac5-12
0.541
MAT-POS-b3e365b9-1
0.540
MAT-POS-b3e365b9-2
0.540
BEN-DND-4f474d93-3
0.540
VLA-UCB-1dbca3b4-15
0.540
ALP-POS-ce760d3f-2
0.540
MAT-POS-f7918075-1
0.540
BEN-DND-4f474d93-1
0.540
MAK-UNK-8be7dca9-9
0.539
NAU-LAT-8502cac5-15
0.536
BRU-CON-c4e3408a-1
0.536
JAN-GHE-f4ca5a00-13
0.536
DAR-DIA-6a508060-6
0.536
MAT-POS-b3e365b9-3
0.536
MAT-POS-b3e365b9-4
0.536
EDG-MED-5d232de5-2
0.534
BEN-DND-c852c98b-4
0.534
ALP-POS-696356e4-1
0.534
EDG-MED-5d232de5-1
0.534
ADA-UCB-dc2b944c-12
0.534
JOH-SUS-a69c159d-2
0.534
BEN-DND-4f474d93-2
0.534
ALP-POS-ce760d3f-7
0.534
JOH-SUS-a69c159d-1
0.534
ALP-POS-ce760d3f-3
0.534
NAU-LAT-8502cac5-10
0.530
RAL-THA-b74298ba-1
0.530
PET-UNK-3e029fdc-1
0.529
RAL-THA-3d7a794f-1
0.529
JAG-UCB-c61058a9-22
0.529
JOH-UNI-1b27fa5e-7
0.529
JAG-UCB-52b62a6f-6
0.529
NAU-LAT-8502cac5-14
0.528
ADA-UCB-dc2b944c-11
0.528
JOH-UNI-f51e3bbc-2
0.527
BEN-DND-c852c98b-3
0.527
JAG-UCB-c61058a9-44
0.523
JAN-GHE-f4ca5a00-22
0.523
NAU-LAT-b7d8c353-1
0.523
MAK-UNK-919546f0-1
0.523
MAK-UNK-f481d203-1
0.523
MAK-UNK-f481d203-2
0.523
ALF-EVA-5b152d2f-2
0.522
JOH-SUS-a69c159d-3
0.522
ADA-UCB-dc2b944c-8
0.522
JOH-SUS-a69c159d-4
0.522
JOH-UNI-1b27fa5e-1
0.522
NAU-LAT-8502cac5-11
0.518
NAU-LAT-8502cac5-16
0.518
JAG-UCB-c61058a9-21
0.518
EDG-MED-fe7487f8-9
0.518
JAG-UCB-119787ef-1
0.518
MAT-POS-968e8d9c-1
0.518
NAU-LAT-b7d8c353-7
0.518
RAL-THA-b74298ba-3
0.518
JAG-UCB-a3ef7265-20
0.518
RAL-THA-3d7a794f-2
0.517
RAL-THA-3d7a794f-3
0.517
ROB-UNI-569bc02e-3
0.517
JOH-UNI-1b27fa5e-6
0.517
MAK-UNK-8be7dca9-7
0.516
WIL-UCB-7ba4ac3a-1
0.516
JOH-SUS-a69c159d-5
0.516
ALF-EVA-5b152d2f-5
0.516
ALF-EVA-5b152d2f-7
0.516
BEN-DND-b89db3f2-2
0.512
NAU-LAT-b7d8c353-4
0.512
JAG-UCB-52b62a6f-7
0.511
BEN-DND-a7517465-3
0.511
MAT-POS-f9802937-7
0.511
MAK-UNK-f481d203-5
0.511
MAK-UNK-f481d203-6
0.511
MAK-UNK-919546f0-3
0.511
BEN-DND-c852c98b-5
0.511
EDG-MED-fe7487f8-8
0.506
ERI-UCB-9c7ec71b-4
0.506
JOH-UNI-d0d90dc1-3
0.506
JAN-GHE-f4ca5a00-23
0.506
JAN-GHE-f4ca5a00-21
0.506
LON-WEI-0a73fcb8-6
0.506
JOH-SUS-a69c159d-6
0.506
VLA-UCB-50c39ae8-13
0.505
VLA-UCB-05e51b3f-20
0.505
MAK-UNK-8be7dca9-5
0.505
BEN-DND-c852c98b-1
0.505
BEN-DND-c852c98b-7
0.505
NAU-LAT-b7d8c353-8
0.500
RAL-THA-b74298ba-2
0.500