Molecular Properties | |
SMILES: | O=C(Nc1n[nH]c2ccc(F)cc12)C1CCOc2ccc(Cl)cc21 |
MW: | 345.07 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 67.01 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-11-04 |
VLA-UCB-1dbca3b4-15
JAG-UCB-52b62a6f-17
0.686
JAG-UCB-52b62a6f-16
0.670
JAG-UCB-52b62a6f-4
0.604
JAG-UCB-52b62a6f-15
0.585
JAG-UCB-52b62a6f-9
0.576
EDG-MED-5d232de5-1
0.559
EDG-MED-5d232de5-2
0.559
ALP-POS-696356e4-1
0.559
ALP-POS-ce760d3f-7
0.559
VLA-UCB-53bdeed6-2
0.544
JOH-SUS-a69c159d-5
0.542
JOH-SUS-a69c159d-7
0.542
PET-UNK-03fd2068-1
0.531
ADA-UCB-b1b30a00-6
0.521
LON-WEI-0a73fcb8-6
0.516
VLA-UCB-05e51b3f-19
0.515
VLA-UCB-50c39ae8-12
0.515
JAG-UCB-52b62a6f-14
0.515
JOH-SUS-a69c159d-2
0.510
JAG-UCB-52b62a6f-6
0.505
JAG-UCB-52b62a6f-5
0.505
NAU-LAT-8502cac5-12
0.500
JOH-UNI-1b27fa5e-3
0.500
ROB-UNI-569bc02e-5
0.495
MAT-POS-500f4700-1
0.495
ROB-UNI-569bc02e-3
0.495
JAG-UCB-52b62a6f-7
0.490
JAG-UCB-52b62a6f-10
0.485
JOH-SUS-a69c159d-4
0.485
JOH-UNI-1b27fa5e-2
0.485
LON-WEI-0a73fcb8-3
0.485
MAT-POS-b3e365b9-1
0.485
JOH-SUS-a69c159d-6
0.485
BEN-DND-4f474d93-1
0.485
VLA-UCB-1dbca3b4-15
0.485
ALP-POS-ce760d3f-2
0.485
MIC-UNK-7574fcc6-2
0.485
BEN-DND-4f474d93-3
0.485
MAT-POS-b3e365b9-2
0.485
MAT-POS-f7918075-1
0.485
PET-UNK-158bee2a-5
0.484
VLA-UNK-0ffe3317-7
0.484
VLA-UCB-53bdeed6-3
0.484
JAG-UCB-52b62a6f-19
0.480
JAG-UCB-52b62a6f-12
0.480
JAG-UCB-52b62a6f-8
0.480
BEN-DND-4f474d93-2
0.480
NAU-LAT-8502cac5-13
0.480
ALP-POS-ce760d3f-3
0.480
JOH-UNI-1b27fa5e-6
0.479
MAT-POS-b3e365b9-4
0.479
DAR-DIA-6a508060-6
0.479
JAN-GHE-f4ca5a00-13
0.479
NAU-LAT-8502cac5-11
0.479
BRU-CON-c4e3408a-1
0.479
MAT-POS-b3e365b9-3
0.479
PET-UNK-158bee2a-7
0.478
MAT-POS-8293a91a-3
0.475
BEN-DND-b89db3f2-1
0.475
MAT-POS-14f31916-5
0.475
JAG-UCB-c61058a9-45
0.475
FRA-DIA-e29753f2-1
0.475
NAU-LAT-b7d8c353-3
0.475
VLA-UCB-05e51b3f-18
0.475
VLA-UCB-50c39ae8-11
0.475
MAT-POS-a2421bb6-4
0.474
JOH-UNI-1b27fa5e-7
0.474
JAG-UCB-c61058a9-9
0.474
RAL-THA-3d7a794f-1
0.474
PET-UNK-3e029fdc-1
0.474
NAU-LAT-b7d8c353-4
0.473
BEN-DND-b89db3f2-2
0.473
RAL-THA-b74298ba-1
0.473
RAL-THA-3d7a794f-4
0.473
NAU-LAT-8502cac5-10
0.473
ROB-UNI-569bc02e-4
0.471
ALF-EVA-5b152d2f-2
0.470
EDG-MED-0e5afe9d-2
0.470
VLA-UCB-05e51b3f-20
0.470
ADA-UCB-dc2b944c-8
0.470
JOH-SUS-a69c159d-3
0.470
EDJ-MED-fb4b7746-3
0.470
VLA-UCB-50c39ae8-13
0.470
RAL-THA-b74298ba-4
0.469
PET-UNK-b1ef24dc-8
0.469
PET-UNK-b1ef24dc-7
0.469
MAK-UNK-f481d203-1
0.469
MAK-UNK-f481d203-2
0.469
EDJ-MED-e9694d2b-1
0.469
LON-WEI-0a73fcb8-7
0.469
JOH-UNI-d0d90dc1-3
0.469
MAK-UNK-919546f0-1
0.469
ERI-UCB-9c7ec71b-2
0.469
JAG-UCB-c61058a9-6
0.468
JOH-UNI-16fcdf60-1
0.468
MAT-POS-a3f7f96a-2
0.468
MAK-UNK-8be7dca9-6
0.466
NAU-LAT-b7d8c353-8
0.466
PET-UNK-ee8352fa-5
0.466
JOH-UNI-1b27fa5e-4
0.465