Molecular Properties | |
SMILES: | O=C(Nc1oncc1C1CCC1)[C@H]1CCOc2ccc(Cl)cc21 |
MW: | 332.09 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.36 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-6
0.912
JAG-UCB-c61058a9-11
0.654
JAG-UCB-c61058a9-7
0.610
ALF-EVA-5b152d2f-7
0.554
ALF-EVA-5b152d2f-5
0.554
LON-WEI-0a73fcb8-7
0.547
ERI-UCB-9c7ec71b-2
0.547
EDJ-MED-e9694d2b-1
0.547
JAG-UCB-c61058a9-41
0.541
VLA-UCB-53bdeed6-2
0.541
JAG-UCB-c61058a9-2
0.540
RAL-THA-3d7a794f-4
0.536
JOH-UNI-16fcdf60-1
0.529
ERI-UCB-9c7ec71b-4
0.529
VLA-UCB-53bdeed6-3
0.529
MAT-POS-b3e365b9-1
0.528
BEN-DND-4f474d93-1
0.528
MAT-POS-f7918075-1
0.528
MAT-POS-b3e365b9-2
0.528
BEN-DND-4f474d93-3
0.528
ALP-POS-ce760d3f-2
0.528
VLA-UCB-1dbca3b4-15
0.528
MAK-UNK-8be7dca9-9
0.527
MAT-POS-b3e365b9-4
0.523
NAU-LAT-8502cac5-15
0.523
BRU-CON-c4e3408a-1
0.523
JAN-GHE-f4ca5a00-13
0.523
DAR-DIA-6a508060-6
0.523
MAT-POS-b3e365b9-3
0.523
JOH-SUS-a69c159d-2
0.522
BEN-DND-c852c98b-4
0.522
ALP-POS-ce760d3f-7
0.522
ALP-POS-ce760d3f-3
0.522
EDG-MED-5d232de5-1
0.522
ADA-UCB-dc2b944c-12
0.522
JOH-SUS-a69c159d-1
0.522
BEN-DND-4f474d93-2
0.522
ALP-POS-696356e4-1
0.522
EDG-MED-5d232de5-2
0.522
NAU-LAT-8502cac5-10
0.518
RAL-THA-b74298ba-1
0.518
RAL-THA-3d7a794f-1
0.517
JAG-UCB-c61058a9-22
0.517
JOH-UNI-1b27fa5e-7
0.517
PET-UNK-3e029fdc-1
0.517
JAG-UCB-52b62a6f-6
0.517
ADA-UCB-dc2b944c-11
0.516
NAU-LAT-8502cac5-14
0.516
JOH-UNI-f51e3bbc-2
0.516
BEN-DND-c852c98b-3
0.516
NAU-LAT-b7d8c353-1
0.511
MAK-UNK-f481d203-1
0.511
MAK-UNK-919546f0-1
0.511
MAK-UNK-f481d203-2
0.511
JAG-UCB-c61058a9-44
0.511
NAU-LAT-8502cac5-12
0.511
ADA-UCB-dc2b944c-8
0.511
ALF-EVA-5b152d2f-2
0.511
JOH-SUS-a69c159d-3
0.511
JOH-SUS-a69c159d-4
0.511
JOH-UNI-1b27fa5e-1
0.511
MAT-POS-968e8d9c-1
0.506
NAU-LAT-8502cac5-11
0.506
NAU-LAT-8502cac5-16
0.506
EDG-MED-fe7487f8-9
0.506
JAG-UCB-c61058a9-21
0.506
RAL-THA-b74298ba-3
0.506
NAU-LAT-b7d8c353-7
0.506
JAG-UCB-119787ef-1
0.506
JAG-UCB-a3ef7265-20
0.506
RAL-THA-3d7a794f-3
0.506
RAL-THA-3d7a794f-2
0.506
ROB-UNI-569bc02e-3
0.506
JOH-UNI-1b27fa5e-6
0.506
RAL-THA-b74298ba-2
0.506
JOH-SUS-a69c159d-5
0.505
MAK-UNK-8be7dca9-7
0.505
WIL-UCB-7ba4ac3a-1
0.505
NAU-LAT-b7d8c353-4
0.500
MAK-UNK-f481d203-5
0.500
BEN-DND-c852c98b-5
0.500
BEN-DND-b89db3f2-2
0.500
MAK-UNK-919546f0-3
0.500
MAK-UNK-f481d203-6
0.500
MIC-UNK-deda7a44-6
0.500
BEN-DND-a7517465-3
0.500
MAT-POS-f9802937-7
0.500
RUB-POS-1325a9ea-10
0.495
MAK-UNK-8be7dca9-5
0.495
BEN-DND-c852c98b-1
0.495
BEN-DND-c852c98b-7
0.495
JAG-UCB-52b62a6f-16
0.495
VLA-UCB-05e51b3f-20
0.495
VLA-UCB-50c39ae8-13
0.495
RAL-THA-b74298ba-4
0.495
JOH-SUS-a69c159d-6
0.495
ROB-UNI-569bc02e-6
0.495
LON-WEI-0a73fcb8-6
0.494
EDG-MED-fe7487f8-8
0.494
JOH-UNI-d0d90dc1-3
0.494