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
JAG-UCB-a3ef7265-20
0.784
JAG-UCB-119787ef-1
0.784
MAT-POS-968e8d9c-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
ROB-UNI-569bc02e-1
0.707
ADA-UCB-b1b30a00-7
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
RAL-THA-04c5403f-2
0.616
MAT-UCB-70f7c0f7-6
0.616
JAG-UCB-c61058a9-44
0.595
NAU-LAT-8502cac5-11
0.590
NAU-LAT-8502cac5-16
0.571
RAL-THA-6ca1b233-3
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
JOH-UNI-d0d90dc1-1
0.552
RAL-THA-6ca1b233-4
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
PET-UNK-158bee2a-7
0.536
BRU-CON-c4e3408a-1
0.535
JAN-GHE-f4ca5a00-13
0.535
JAG-UCB-c61058a9-41
0.535
DAR-DIA-6a508060-6
0.535
NAU-LAT-8502cac5-15
0.535
MAT-POS-b3e365b9-3
0.535
MAT-POS-b3e365b9-4
0.535
EDG-MED-4b32601a-2
0.534
RAL-THA-3d7a794f-2
0.534
EDG-MED-fe7487f8-1
0.534
ANT-OPE-3d7cb11b-3
0.534
NAU-LAT-8502cac5-10
0.529
JAG-UCB-c61058a9-22
0.529
MAT-POS-a3f7f96a-2
0.523
EDJ-MED-51d3200d-3
0.522
LON-WEI-0a73fcb8-3
0.522
JAG-UCB-c61058a9-37
0.521
EDJ-MED-97c1bf5c-4
0.521
VLA-UCB-53bdeed6-2
0.517
NAU-LAT-b7d8c353-7
0.517
RAL-THA-3d7a794f-3
0.517
MAT-POS-500f4700-1
0.517
EDJ-MED-51d3200d-4
0.517
JAG-UCB-c61058a9-35
0.516
RAL-THA-04c5403f-1
0.516
RAL-THA-9041a04d-5
0.516
JOH-UNI-1b27fa5e-4
0.516
TAT-ENA-0e28ea53-1
0.511
JOH-UNI-1b27fa5e-7
0.511
MAT-POS-8293a91a-1
0.511
MAT-POS-b5c94171-1
0.511
MAT-POS-a2421bb6-4
0.511
RAL-THA-9041a04d-3
0.511
JAG-UCB-c61058a9-6
0.506
ERI-UCB-9c7ec71b-2
0.506
EDJ-MED-e9694d2b-1
0.506
PET-UNK-158bee2a-5
0.506
MAT-POS-1f3c8e6f-1
0.506
VLA-UNK-0ffe3317-7
0.506
JOH-SUS-a69c159d-6
0.505
RAL-THA-9041a04d-4
0.505
MAT-POS-a54ce14d-1
0.505
JAG-UCB-52b62a6f-1
0.505
JAG-UCB-52b62a6f-3
0.505
JOH-SUS-a69c159d-2
0.500
RAL-THA-9041a04d-6
0.500
JOH-UNI-1b27fa5e-5
0.500
JOH-UNI-1b27fa5e-6
0.500
MAT-POS-acfe5bae-5
0.495
MAT-POS-14f31916-2
0.495
ADA-UCB-b1b30a00-6
0.495
NAU-LAT-8502cac5-14
0.495
JAG-UCB-52b62a6f-4
0.495
VLA-UNK-0ffe3317-1
0.495
JAG-UCB-c61058a9-9
0.494