Molecular Properties | |
SMILES: | O=C(Nc1nc(C2CCNCC2)n[nH]1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 361.13 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 91.93 |
cLogP: | 2.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ROB-UNI-569bc02e-3
0.616
NAU-LAT-8502cac5-13
0.596
ROB-UNI-569bc02e-4
0.564
NAU-LAT-8502cac5-12
0.551
ADA-UCB-b1b30a00-7
0.548
ROB-UNI-569bc02e-1
0.548
ROB-UNI-569bc02e-7
0.532
VLA-UCB-53bdeed6-2
0.528
JAG-UCB-52b62a6f-6
0.522
VLA-UCB-53bdeed6-3
0.516
MIC-UNK-42806bd5-4
0.512
PET-UNK-158bee2a-7
0.511
JAG-UCB-52b62a6f-17
0.511
NAU-LAT-8502cac5-10
0.506
RAL-THA-3d7a794f-4
0.506
JAG-UCB-52b62a6f-7
0.505
MAT-POS-afb6844f-4
0.500
VLA-UCB-50c39ae8-12
0.500
JAG-UCB-52b62a6f-16
0.500
JOH-UNI-16fcdf60-1
0.500
MAT-POS-a3f7f96a-2
0.500
JAG-UCB-c61058a9-6
0.500
ROB-UNI-569bc02e-6
0.500
VLA-UCB-05e51b3f-19
0.500
LON-WEI-0a73fcb8-6
0.500
JAG-UCB-52b62a6f-18
0.495
JAG-UCB-52b62a6f-9
0.495
JAG-UCB-a3ef7265-20
0.495
JAG-UCB-119787ef-1
0.495
MAT-POS-968e8d9c-1
0.495
NAU-LAT-8502cac5-11
0.495
JAG-UCB-c61058a9-21
0.495
JAG-UCB-c61058a9-41
0.495
MAT-POS-14f31916-4
0.490
NAU-LAT-b7d8c353-2
0.490
JAG-UCB-52b62a6f-15
0.490
JAG-UCB-52b62a6f-4
0.490
JAG-UCB-52b62a6f-5
0.490
PET-UNK-b1ef24dc-6
0.490
MAT-POS-afb6844f-5
0.490
ADA-UCB-b1b30a00-6
0.490
JAG-UCB-c61058a9-9
0.489
TAT-ENA-0e28ea53-1
0.489
RAL-THA-3d7a794f-1
0.489
JAG-UCB-c61058a9-7
0.489
MAT-POS-7ddaf7de-4
0.489
PET-UNK-3e029fdc-1
0.489
MAT-POS-8293a91a-1
0.489
NAU-LAT-b7d8c353-4
0.489
BEN-DND-b89db3f2-2
0.489
RAL-THA-b74298ba-1
0.489
JAG-UCB-52b62a6f-14
0.485
VLA-UCB-05e51b3f-20
0.485
VLA-UCB-50c39ae8-13
0.485
JAG-UCB-52b62a6f-13
0.485
JOH-SUS-a69c159d-6
0.484
BEN-DND-4f474d93-1
0.484
BEN-DND-4f474d93-3
0.484
ALP-POS-ce760d3f-2
0.484
NAU-LAT-b7d8c353-1
0.484
LON-WEI-0a73fcb8-7
0.484
EDG-MED-fe7487f8-8
0.484
ERI-UCB-9c7ec71b-4
0.484
JOH-UNI-d0d90dc1-3
0.484
EDJ-MED-e9694d2b-1
0.484
ERI-UCB-9c7ec71b-2
0.484
JAG-UCB-52b62a6f-19
0.480
BEN-DND-c852c98b-10
0.480
JAG-UCB-52b62a6f-8
0.480
JAG-UCB-52b62a6f-12
0.480
MAT-POS-a2421bb6-2
0.480
BEN-DND-a7517465-8
0.480
ADA-UCB-dc2b944c-10
0.480
MIC-UNK-deda7a44-7
0.479
JOH-UNI-1b27fa5e-6
0.479
MAT-POS-afb6844f-2
0.479
RAL-THA-3d7a794f-2
0.479
JAG-UCB-c61058a9-2
0.479
JAG-UCB-c61058a9-11
0.479
MAT-POS-500f4700-1
0.479
MAT-POS-b3e365b9-4
0.478
NAU-LAT-b7d8c353-7
0.478
NAU-LAT-8502cac5-16
0.478
JAN-GHE-f4ca5a00-13
0.478
DAR-DIA-6a508060-6
0.478
RAL-THA-b74298ba-3
0.478
EDG-MED-fe7487f8-9
0.478
BRU-CON-c4e3408a-1
0.478
MAT-POS-b3e365b9-3
0.478
NAU-LAT-8502cac5-15
0.478
BEN-DND-a7517465-3
0.474
BEN-DND-a7517465-2
0.474
MIC-UNK-deda7a44-6
0.474
VLA-UNK-0ffe3317-1
0.474
MAT-POS-afb6844f-1
0.473
JOH-UNI-1b27fa5e-7
0.473
MAT-POS-b5c94171-1
0.473
JAG-UCB-c61058a9-22
0.473
PET-UNK-6314f867-1
0.470
EDJ-MED-fb4b7746-3
0.469