Molecular Properties | |
SMILES: | O=C(Nc1nnnn1C1CCNCC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 362.13 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 93.96 |
cLogP: | 1.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-b1b30a00-7
0.678
ROB-UNI-569bc02e-1
0.678
JAG-UCB-a3ef7265-20
0.586
JAG-UCB-119787ef-1
0.586
MAT-POS-968e8d9c-1
0.586
EDG-MED-fe7487f8-9
0.586
RAL-THA-b74298ba-3
0.586
RAL-THA-b74298ba-1
0.581
ERI-UCB-9c7ec71b-4
0.573
JAG-UCB-c61058a9-44
0.573
RAL-THA-b74298ba-2
0.567
JAG-UCB-c61058a9-22
0.562
EDG-MED-fe7487f8-8
0.556
NAU-LAT-8502cac5-16
0.551
NAU-LAT-8502cac5-11
0.551
JAG-UCB-c61058a9-21
0.551
JAG-UCB-c61058a9-2
0.549
NAU-LAT-8502cac5-10
0.545
MIC-UNK-deda7a44-6
0.543
JOH-UNI-d0d90dc1-3
0.538
ERI-UCB-a38d41be-1
0.538
JAG-UCB-52b62a6f-3
0.537
MAT-POS-b3e365b9-4
0.533
DAR-DIA-6a508060-6
0.533
BRU-CON-c4e3408a-1
0.533
JAN-GHE-f4ca5a00-13
0.533
MAT-POS-b3e365b9-3
0.533
RAL-THA-3d7a794f-2
0.533
ROB-UNI-569bc02e-5
0.532
MIC-UNK-deda7a44-7
0.532
MAT-POS-1f3c8e6f-1
0.522
RAL-THA-b74298ba-4
0.521
JAG-UCB-c61058a9-32
0.521
EDJ-MED-97c1bf5c-3
0.520
PET-UNK-158bee2a-7
0.517
RAL-THA-3d7a794f-4
0.511
MAT-POS-8293a91a-1
0.511
MAT-POS-b5c94171-1
0.511
RAL-THA-04c5403f-2
0.510
MAT-UCB-70f7c0f7-6
0.510
MAT-POS-a3f7f96a-2
0.505
NAU-LAT-b7d8c353-7
0.500
MAT-POS-500f4700-1
0.500
RAL-THA-3d7a794f-3
0.500
JAG-UCB-c61058a9-41
0.500
NAU-LAT-8502cac5-15
0.500
VLA-UCB-53bdeed6-2
0.500
MAT-POS-a2421bb6-4
0.495
TAT-ENA-0e28ea53-1
0.495
RAL-THA-3d7a794f-1
0.495
PET-UNK-3e029fdc-1
0.495
MAK-UNK-f481d203-1
0.489
MAK-UNK-f481d203-2
0.489
LON-WEI-0a73fcb8-6
0.489
MAK-UNK-919546f0-1
0.489
JOH-UNI-16fcdf60-1
0.489
MAT-POS-afb6844f-2
0.484
JAG-UCB-52b62a6f-11
0.480
JAG-UCB-52b62a6f-6
0.479
MAT-POS-7ddaf7de-4
0.479
MAT-POS-afb6844f-1
0.479
BEN-DND-b89db3f2-2
0.478
NAU-LAT-b7d8c353-4
0.478
VLA-UCB-05e51b3f-19
0.475
VLA-UCB-50c39ae8-12
0.475
JOH-UNI-1b27fa5e-1
0.475
ROB-UNI-569bc02e-6
0.474
EDJ-MED-51d3200d-3
0.474
NAU-LAT-8502cac5-12
0.474
LON-WEI-0a73fcb8-7
0.474
VLA-UCB-53bdeed6-3
0.474
NAU-LAT-b7d8c353-1
0.474
JAG-UCB-c61058a9-6
0.473
EDJ-MED-ba7e64f2-3
0.470
MAT-POS-51833a24-2
0.470
BEN-DND-c852c98b-10
0.470
BEN-DND-a7517465-8
0.470
NAU-LAT-8502cac5-13
0.469
JAG-UCB-52b62a6f-17
0.469
RAL-THA-9041a04d-6
0.469
EDJ-MED-51d3200d-4
0.469
ROB-UNI-569bc02e-3
0.469
MIC-UNK-13557a72-2
0.467
MAK-UNK-8be7dca9-4
0.467
MIC-UNK-42806bd5-4
0.467
NAU-LAT-b7d8c353-2
0.465
MAT-POS-51833a24-4
0.465
JAG-UCB-52b62a6f-4
0.465
JAG-UCB-52b62a6f-7
0.465
NAU-LAT-8502cac5-14
0.465
RAL-THA-9041a04d-3
0.465
ADA-UCB-b1b30a00-6
0.465
PET-UNK-e274cad4-7
0.465
MAT-POS-51833a24-3
0.465
MAK-UNK-8be7dca9-1
0.464
ERI-UCB-8d4e5055-2
0.464
MAT-POS-8695a11f-2
0.464
ERI-UCB-8d4e5055-1
0.464
JOH-UNI-1b27fa5e-7
0.463
JAG-UCB-c61058a9-7
0.463