Molecular Properties | |
SMILES: | O=C(Nc1cnoc1C1CCC1)[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-c61058a9-7
0.914
JAG-UCB-c61058a9-9
0.654
JAG-UCB-c61058a9-6
0.610
ERI-UCB-9c7ec71b-2
0.588
EDJ-MED-e9694d2b-1
0.588
VLA-UCB-53bdeed6-3
0.588
LON-WEI-0a73fcb8-7
0.570
MAT-POS-b3e365b9-3
0.565
BRU-CON-c4e3408a-1
0.565
DAR-DIA-6a508060-6
0.565
MAT-POS-b3e365b9-4
0.565
JAN-GHE-f4ca5a00-13
0.565
BEN-DND-c852c98b-8
0.562
BEN-DND-a7517465-10
0.562
ALF-EVA-5b152d2f-7
0.559
ALF-EVA-5b152d2f-5
0.559
JOH-UNI-1b27fa5e-7
0.558
MAK-UNK-919546f0-1
0.552
MAK-UNK-f481d203-1
0.552
MAK-UNK-f481d203-2
0.552
JAG-UCB-52b62a6f-13
0.549
JOH-UNI-1b27fa5e-6
0.545
BEN-DND-4f474d93-2
0.544
ALP-POS-ce760d3f-3
0.544
RAL-THA-3d7a794f-4
0.541
BEN-DND-a7517465-5
0.538
MAT-POS-b3e365b9-1
0.533
VLA-UCB-1dbca3b4-15
0.533
MAT-POS-f7918075-1
0.533
ALP-POS-ce760d3f-2
0.533
MAT-POS-b3e365b9-2
0.533
BEN-DND-4f474d93-1
0.533
BEN-DND-4f474d93-3
0.533
VLA-UCB-05e51b3f-20
0.533
VLA-UCB-50c39ae8-13
0.533
MAK-UNK-8be7dca9-9
0.533
JAG-UCB-c61058a9-41
0.529
VLA-UCB-53bdeed6-2
0.529
ALP-POS-ce760d3f-7
0.527
EDG-MED-5d232de5-1
0.527
EDG-MED-5d232de5-2
0.527
ADA-UCB-dc2b944c-12
0.527
JOH-UNI-1b27fa5e-5
0.527
BEN-DND-c852c98b-4
0.527
JOH-SUS-a69c159d-1
0.527
ALP-POS-696356e4-1
0.527
JOH-SUS-a69c159d-2
0.527
JAG-UCB-c61058a9-22
0.523
ADA-UCB-dc2b944c-11
0.522
BEN-DND-a7517465-2
0.522
BEN-DND-a7517465-3
0.522
NAU-LAT-b7d8c353-2
0.521
NAU-LAT-b7d8c353-5
0.521
JOH-UNI-f51e3bbc-2
0.521
JOH-UNI-16fcdf60-1
0.517
ERI-UCB-9c7ec71b-4
0.517
JOH-SUS-a69c159d-3
0.516
JOH-SUS-a69c159d-4
0.516
EDJ-MED-fb4b7746-2
0.516
JOH-UNI-1b27fa5e-1
0.516
ADA-UCB-dc2b944c-8
0.516
EDG-MED-0e5afe9d-2
0.516
ALF-EVA-5b152d2f-2
0.516
EDJ-MED-fb4b7746-3
0.516
BEN-DND-a7517465-1
0.511
BEN-DND-a7517465-7
0.511
JOH-SUS-a69c159d-5
0.511
BEN-DND-c852c98b-10
0.511
BEN-DND-a7517465-8
0.511
MAK-UNK-8be7dca9-7
0.511
ADA-UCB-b1b30a00-8
0.511
RAL-THA-b74298ba-1
0.506
NAU-LAT-8502cac5-10
0.506
PET-UNK-3e029fdc-1
0.506
RAL-THA-3d7a794f-1
0.506
NAU-LAT-8502cac5-14
0.505
MAK-UNK-f481d203-6
0.505
MAK-UNK-f481d203-5
0.505
BEN-DND-c852c98b-3
0.505
BEN-DND-c852c98b-5
0.505
MAK-UNK-919546f0-3
0.505
MAT-POS-f9802937-7
0.505
BEN-DND-c852c98b-6
0.505
ALF-EVA-5b152d2f-8
0.505
NAU-LAT-b7d8c353-1
0.500
BEN-DND-c852c98b-7
0.500
MAK-UNK-8be7dca9-5
0.500
BEN-DND-c852c98b-1
0.500
BEN-DND-a7517465-11
0.500
MAT-POS-2bb0cf2b-2
0.500
EDG-MED-fe7487f8-8
0.500
JAG-UCB-c61058a9-44
0.500
EDJ-MED-fb4b7746-1
0.500
NAU-LAT-8502cac5-12
0.500
NAU-LAT-b7d8c353-8
0.495
MAK-UNK-8be7dca9-8
0.495
MAK-UNK-8be7dca9-6
0.495
BEN-DND-a7517465-6
0.495
JOH-UNI-f51e3bbc-1
0.495
RAL-THA-3d7a794f-2
0.495