Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1F)C1CCOc2ccc(Cl)cc21 |
MW: | 336.08 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-21
0.859
MAT-POS-968e8d9c-1
0.784
JAG-UCB-a3ef7265-20
0.784
JAG-UCB-119787ef-1
0.784
JAG-UCB-c61058a9-32
0.772
EDG-MED-fe7487f8-8
0.763
ERI-UCB-9c7ec71b-4
0.763
ERI-UCB-a38d41be-1
0.756
ADA-UCB-b1b30a00-7
0.707
ROB-UNI-569bc02e-1
0.707
RAL-THA-b74298ba-1
0.688
RAL-THA-b74298ba-3
0.671
EDG-MED-fe7487f8-9
0.671
RAL-THA-b74298ba-2
0.646
RAL-THA-b74298ba-4
0.631
MAT-UCB-70f7c0f7-6
0.616
JAG-UCB-c61058a9-44
0.595
NAU-LAT-8502cac5-11
0.590
RAL-THA-6ca1b233-3
0.571
NAU-LAT-8502cac5-16
0.571
JAG-UCB-c61058a9-17
0.571
BRU-THA-a358fbdd-3
0.571
JAG-UCB-c61058a9-2
0.570
RAL-THA-3d7a794f-1
0.565
PET-UNK-3e029fdc-1
0.565
MIC-UNK-deda7a44-6
0.563
JAG-UCB-c61058a9-34
0.560
JAG-UCB-52b62a6f-2
0.556
NAU-LAT-8502cac5-2
0.554
MIC-UNK-deda7a44-5
0.554
JAG-UCB-c61058a9-18
0.554
EDG-MED-a20b5824-1
0.553
RAL-THA-6ca1b233-4
0.552
JOH-UNI-d0d90dc1-1
0.552
MIC-UNK-deda7a44-7
0.551
RAL-THA-3d7a794f-4
0.548
JAG-UCB-52b62a6f-11
0.543
JOH-UNI-16fcdf60-1
0.541
EDG-MED-fe7487f8-3
0.540
RAL-THA-6ca1b233-1
0.540
RAL-THA-6ca1b233-2
0.540
JAN-GHE-f4ca5a00-22
0.540
ROB-UNI-569bc02e-7
0.538
MAT-POS-b3e365b9-4
0.535
JAN-GHE-f4ca5a00-13
0.535
MAT-POS-b3e365b9-3
0.535
NAU-LAT-8502cac5-15
0.535
DAR-DIA-6a508060-6
0.535
BRU-CON-c4e3408a-1
0.535
JAG-UCB-c61058a9-41
0.535
ANT-OPE-3d7cb11b-3
0.534
EDG-MED-fe7487f8-1
0.534
EDG-MED-4b32601a-2
0.534
RAL-THA-3d7a794f-2
0.534
NAU-LAT-8502cac5-10
0.529
JAG-UCB-c61058a9-22
0.529
LON-WEI-0a73fcb8-3
0.522
JAG-UCB-c61058a9-37
0.521
EDJ-MED-97c1bf5c-4
0.521
NAU-LAT-b7d8c353-7
0.517
VLA-UCB-53bdeed6-2
0.517
RAL-THA-3d7a794f-3
0.517
JAG-UCB-c61058a9-35
0.516
JOH-UNI-1b27fa5e-4
0.516
JOH-UNI-1b27fa5e-7
0.511
JAG-UCB-c61058a9-6
0.506
ERI-UCB-9c7ec71b-2
0.506
EDJ-MED-e9694d2b-1
0.506
JOH-SUS-a69c159d-6
0.505
JAG-UCB-52b62a6f-1
0.505
JAG-UCB-52b62a6f-3
0.505
JOH-UNI-1b27fa5e-6
0.500
JOH-UNI-1b27fa5e-5
0.500
JOH-SUS-a69c159d-2
0.500
NAU-LAT-8502cac5-14
0.495
JAG-UCB-52b62a6f-4
0.495
ADA-UCB-b1b30a00-6
0.495
JAG-UCB-c61058a9-9
0.494
JAG-UCB-c61058a9-7
0.494
BEN-DND-b89db3f2-2
0.494
NAU-LAT-b7d8c353-4
0.494
EDJ-MED-fb4b7746-1
0.490
MAT-POS-2bb0cf2b-2
0.490
JOH-SUS-a69c159d-4
0.489
JOH-UNI-1b27fa5e-1
0.489
JOH-UNI-1b27fa5e-2
0.489
JOH-UNI-1b27fa5e-3
0.489
ROB-UNI-569bc02e-6
0.489
LON-WEI-0a73fcb8-7
0.489
NAU-LAT-8502cac5-12
0.489
LON-WEI-0a73fcb8-6
0.489
MAK-UNK-919546f0-1
0.489
MAK-UNK-f481d203-2
0.489
VLA-UCB-53bdeed6-3
0.489
JAN-GHE-f4ca5a00-21
0.489
NAU-LAT-b7d8c353-1
0.489
MAK-UNK-f481d203-1
0.489
ANT-OPE-66a89c65-2
0.489
EDJ-MED-0e996074-1
0.488
EDJ-MED-2c295496-1
0.488