Molecular Properties | |
SMILES: | O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 335.05 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.11 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-53bdeed6-2
0.573
RAL-THA-b74298ba-1
0.568
JAG-UCB-c61058a9-6
0.561
EDJ-MED-e9694d2b-1
0.560
VLA-UCB-53bdeed6-3
0.560
JAG-UCB-c61058a9-44
0.560
ERI-UCB-9c7ec71b-2
0.560
JAG-UCB-c61058a9-2
0.553
RAL-THA-3d7a794f-4
0.549
JAG-UCB-c61058a9-7
0.548
JOH-UNI-d0d90dc1-3
0.541
MAK-UNK-919546f0-1
0.541
MAK-UNK-f481d203-1
0.541
MAK-UNK-f481d203-2
0.541
LON-WEI-0a73fcb8-7
0.541
NAU-LAT-8502cac5-12
0.541
MAT-POS-b3e365b9-3
0.536
JAG-UCB-119787ef-1
0.536
JAG-UCB-a3ef7265-20
0.536
DAR-DIA-6a508060-6
0.536
BRU-CON-c4e3408a-1
0.536
EDG-MED-fe7487f8-9
0.536
JAG-UCB-c61058a9-21
0.536
JAN-GHE-f4ca5a00-13
0.536
JAG-UCB-c61058a9-41
0.536
NAU-LAT-8502cac5-16
0.536
MAT-POS-b3e365b9-4
0.536
MAT-POS-968e8d9c-1
0.536
RAL-THA-b74298ba-3
0.536
NAU-LAT-8502cac5-10
0.530
JAG-UCB-c61058a9-9
0.529
LON-WEI-0a73fcb8-6
0.523
EDG-MED-fe7487f8-8
0.523
ERI-UCB-9c7ec71b-4
0.523
JAN-GHE-f4ca5a00-22
0.523
JOH-SUS-a69c159d-6
0.523
JAG-UCB-52b62a6f-3
0.522
NAU-LAT-b7d8c353-7
0.518
NAU-LAT-8502cac5-11
0.518
NAU-LAT-8502cac5-15
0.518
JAG-UCB-c61058a9-11
0.517
RAL-THA-b74298ba-2
0.517
JOH-SUS-a69c159d-7
0.516
NAU-LAT-b7d8c353-4
0.512
BEN-DND-b89db3f2-2
0.512
RAL-THA-3d7a794f-1
0.512
JAG-UCB-c61058a9-22
0.512
JOH-UNI-1b27fa5e-7
0.512
PET-UNK-3e029fdc-1
0.512
JAG-UCB-52b62a6f-6
0.511
MIC-UNK-deda7a44-6
0.511
NAU-LAT-b7d8c353-5
0.511
NAU-LAT-b7d8c353-1
0.506
JAN-GHE-f4ca5a00-21
0.506
RAL-THA-b74298ba-4
0.506
ROB-UNI-569bc02e-6
0.506
ERI-UCB-a38d41be-1
0.506
JAG-UCB-52b62a6f-1
0.505
JAG-UCB-52b62a6f-2
0.505
JOH-SUS-a69c159d-5
0.500
RAL-THA-3d7a794f-3
0.500
JOH-UNI-1b27fa5e-6
0.500
JAG-UCB-52b62a6f-9
0.500
ROB-UNI-569bc02e-3
0.500
JOH-SUS-a69c159d-2
0.500
BEN-DND-c852c98b-8
0.500
BEN-DND-a7517465-10
0.500
MIC-UNK-deda7a44-7
0.500
MIC-UNK-42806bd5-4
0.500
ROB-UNI-569bc02e-5
0.500
RAL-THA-3d7a794f-2
0.500
JOH-UNI-1b27fa5e-4
0.500
NAU-LAT-b7d8c353-6
0.495
JAG-UCB-52b62a6f-11
0.495
MAT-UCB-70f7c0f7-6
0.495
JAG-UCB-52b62a6f-7
0.495
LON-WEI-0a73fcb8-4
0.495
ADA-UCB-b1b30a00-6
0.495
EDJ-MED-97c1bf5c-3
0.490
VLA-UCB-50c39ae8-12
0.489
EDG-MED-0e5afe9d-2
0.489
JAG-UCB-52b62a6f-13
0.489
ADA-UCB-b1b30a00-7
0.489
ROB-UNI-569bc02e-1
0.489
JAG-UCB-c61058a9-32
0.489
JOH-UNI-1b27fa5e-1
0.489
JOH-UNI-1b27fa5e-2
0.489
EDJ-MED-fb4b7746-3
0.489
VLA-UCB-05e51b3f-19
0.489
LON-WEI-0a73fcb8-3
0.489
ADA-UCB-dc2b944c-8
0.489
ROB-UNI-569bc02e-7
0.489
JOH-UNI-1b27fa5e-3
0.489
EDJ-MED-fb4b7746-2
0.489
ALP-POS-ce760d3f-2
0.489
MAT-POS-b3e365b9-1
0.489
MAT-POS-b3e365b9-2
0.489
VLA-UCB-1dbca3b4-15
0.489
BEN-DND-4f474d93-3
0.489
BEN-DND-4f474d93-1
0.489