Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1O)C1CCOc2ccc(Cl)cc21 |
MW: | 334.08 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 89.27 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-d0d90dc1-3
0.859
JAG-UCB-c61058a9-32
0.792
JAG-UCB-119787ef-1
0.781
MAT-POS-968e8d9c-1
0.781
JAG-UCB-a3ef7265-20
0.781
ERI-UCB-a38d41be-1
0.776
EDG-MED-fe7487f8-8
0.760
ERI-UCB-9c7ec71b-4
0.760
RAL-THA-b74298ba-1
0.730
ADA-UCB-b1b30a00-7
0.704
ROB-UNI-569bc02e-1
0.704
RAL-THA-b74298ba-3
0.688
EDG-MED-fe7487f8-9
0.688
RAL-THA-b74298ba-2
0.662
RAL-THA-b74298ba-4
0.646
RAL-THA-04c5403f-2
0.631
MAT-UCB-70f7c0f7-6
0.631
NAU-LAT-8502cac5-11
0.605
MIC-UNK-deda7a44-6
0.595
JAG-UCB-c61058a9-44
0.590
NAU-LAT-8502cac5-16
0.585
JAG-UCB-c61058a9-2
0.583
MIC-UNK-deda7a44-7
0.581
PET-UNK-3e029fdc-1
0.578
RAL-THA-3d7a794f-1
0.578
NAU-LAT-8502cac5-15
0.566
JAG-UCB-c61058a9-17
0.566
BRU-THA-a358fbdd-3
0.566
NAU-LAT-8502cac5-10
0.561
RAL-THA-3d7a794f-4
0.561
JAG-UCB-52b62a6f-11
0.556
JAG-UCB-c61058a9-34
0.554
JAN-GHE-f4ca5a00-22
0.553
JAG-UCB-52b62a6f-2
0.551
ROB-UNI-569bc02e-7
0.551
NAU-LAT-8502cac5-2
0.549
MIC-UNK-deda7a44-5
0.549
JAG-UCB-c61058a9-18
0.549
PET-UNK-158bee2a-7
0.549
EDG-MED-a20b5824-1
0.548
RAL-THA-6ca1b233-3
0.548
JAG-UCB-c61058a9-41
0.548
RAL-THA-3d7a794f-2
0.547
RAL-THA-6ca1b233-4
0.547
JAG-UCB-c61058a9-22
0.541
JOH-UNI-16fcdf60-1
0.536
MAT-POS-a3f7f96a-2
0.536
RAL-THA-6ca1b233-1
0.535
EDG-MED-fe7487f8-3
0.535
RAL-THA-6ca1b233-2
0.535
EDJ-MED-51d3200d-3
0.534
MAT-POS-b3e365b9-3
0.529
MAT-POS-b3e365b9-4
0.529
NAU-LAT-b7d8c353-7
0.529
DAR-DIA-6a508060-6
0.529
BRU-CON-c4e3408a-1
0.529
JAN-GHE-f4ca5a00-13
0.529
VLA-UCB-53bdeed6-2
0.529
RAL-THA-3d7a794f-3
0.529
MAT-POS-500f4700-1
0.529
EDG-MED-4b32601a-2
0.529
ANT-OPE-3d7cb11b-3
0.529
EDG-MED-fe7487f8-1
0.529
EDJ-MED-51d3200d-4
0.529
MAT-POS-8293a91a-1
0.523
MAT-POS-b5c94171-1
0.523
TAT-ENA-0e28ea53-1
0.523
JAG-UCB-c61058a9-6
0.518
MAT-POS-1f3c8e6f-1
0.517
NAU-LAT-8502cac5-12
0.517
JAG-UCB-52b62a6f-1
0.516
JAG-UCB-52b62a6f-3
0.516
EDJ-MED-97c1bf5c-4
0.516
RAL-THA-9041a04d-5
0.511
RAL-THA-9041a04d-6
0.511
RAL-THA-04c5403f-1
0.511
JAG-UCB-c61058a9-35
0.511
JOH-UNI-1b27fa5e-4
0.511
NAU-LAT-b7d8c353-4
0.506
BEN-DND-b89db3f2-2
0.506
MAT-POS-7ddaf7de-4
0.506
MAT-POS-afb6844f-1
0.506
JAG-UCB-c61058a9-7
0.506
JAG-UCB-c61058a9-9
0.506
JOH-UNI-1b27fa5e-7
0.506
ALP-POS-b3e0acc5-2
0.506
MAT-POS-a2421bb6-4
0.506
RAL-THA-9041a04d-3
0.505
NAU-LAT-8502cac5-14
0.505
MAT-POS-acfe5bae-5
0.505
MAT-POS-14f31916-2
0.505
NAU-LAT-b7d8c353-1
0.500
MAK-UNK-919546f0-1
0.500
MAT-POS-2bb0cf2b-2
0.500
MAT-POS-51833a24-1
0.500
RAL-THA-9041a04d-4
0.500
ALP-POS-8b8a49e1-1
0.500
MIC-UNK-42806bd5-3
0.500
MAT-POS-a54ce14d-1
0.500
BEN-DND-02317c5c-3
0.500