Molecular Properties | |
SMILES: | Cn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 291.08 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 56.15 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
RAL-THA-3d7a794f-2
0.701
RAL-THA-3d7a794f-3
0.701
PET-UNK-3e029fdc-1
0.697
RAL-THA-3d7a794f-1
0.697
RAL-THA-9041a04d-5
0.654
RAL-THA-04c5403f-1
0.654
RAL-THA-9041a04d-6
0.654
RAL-THA-9041a04d-3
0.646
RAL-THA-9041a04d-4
0.639
MAT-POS-a54ce14d-1
0.639
RAL-THA-b74298ba-1
0.636
RAL-THA-9041a04d-2
0.624
RAL-THA-9041a04d-7
0.624
EDJ-MED-51d3200d-4
0.617
RAL-THA-9041a04d-1
0.616
NAU-LAT-8502cac5-10
0.615
JAG-UCB-c61058a9-22
0.613
PET-UNK-e274cad4-7
0.607
ERI-UCB-9c7ec71b-2
0.605
EDJ-MED-e9694d2b-1
0.605
PET-UNK-158bee2a-7
0.603
EDJ-MED-51d3200d-3
0.602
DAR-DIA-6a508060-6
0.600
MAT-POS-b3e365b9-4
0.600
BRU-CON-c4e3408a-1
0.600
JAN-GHE-f4ca5a00-13
0.600
MAT-POS-51833a24-5
0.600
MAT-POS-b3e365b9-3
0.600
EDJ-MED-fb4b7746-1
0.598
MAT-POS-2bb0cf2b-2
0.598
MAT-POS-51833a24-2
0.593
MAT-POS-7ddaf7de-4
0.593
MAT-POS-afb6844f-1
0.593
MAT-POS-a2421bb6-4
0.590
MAT-POS-51833a24-3
0.588
MAT-POS-51833a24-4
0.586
MAK-UNK-919546f0-1
0.585
MAK-UNK-f481d203-1
0.585
MAK-UNK-f481d203-2
0.585
BEN-DND-02317c5c-3
0.583
MAT-POS-51833a24-1
0.583
RAL-THA-b74298ba-3
0.580
EDG-MED-fe7487f8-9
0.580
NAU-LAT-b7d8c353-7
0.580
MAT-POS-afb6844f-2
0.578
EDJ-MED-51d3200d-1
0.575
PET-UNK-e274cad4-2
0.575
EDJ-MED-51d3200d-2
0.575
MAT-POS-8293a91a-1
0.573
MAT-POS-51833a24-6
0.573
ALP-POS-b3e0acc5-2
0.571
NAU-LAT-8502cac5-14
0.570
PET-UNK-7f7e354d-1
0.570
JAG-UCB-c61058a9-6
0.568
MAT-POS-a3f7f96a-2
0.568
LON-WEI-0a73fcb8-7
0.566
MAT-POS-1f3c8e6f-1
0.566
MAT-POS-afb6844f-3
0.565
PET-UNK-b1ef24dc-7
0.565
MAT-POS-afb6844f-4
0.565
JAG-UCB-c61058a9-32
0.563
JAG-UCB-a3ef7265-20
0.561
MAT-POS-968e8d9c-1
0.561
JAG-UCB-119787ef-1
0.561
NAU-LAT-8502cac5-15
0.561
NAU-LAT-8502cac5-16
0.561
JAG-UCB-c61058a9-21
0.561
JAG-UCB-c61058a9-41
0.561
EDJ-MED-e18764cb-1
0.560
MAT-POS-af1eef35-1
0.560
JOH-UNI-1b27fa5e-6
0.560
RAL-THA-b74298ba-2
0.560
JAG-UCB-c61058a9-2
0.560
PET-UNK-b38839dc-3
0.558
MAT-POS-d8472c4f-6
0.557
MAT-POS-14f31916-1
0.557
JOH-UNI-1b27fa5e-7
0.554
MAT-POS-b5c94171-1
0.554
JAG-UCB-c61058a9-7
0.554
TAT-ENA-0e28ea53-1
0.554
MIC-UNK-b904ca85-2
0.552
MAT-POS-afb6844f-5
0.552
BEN-DND-a7517465-3
0.552
MAT-POS-14f31916-5
0.552
PET-UNK-ee8352fa-4
0.551
EDJ-MED-fb4b7746-4
0.549
EDG-MED-0e5afe9d-1
0.549
NAU-LAT-b7d8c353-6
0.549
JOH-UNI-16fcdf60-1
0.549
NAU-LAT-b7d8c353-1
0.548
LON-WEI-0a73fcb8-6
0.548
EDG-MED-fe7487f8-8
0.548
JAG-UCB-c61058a9-44
0.548
ERI-UCB-9c7ec71b-4
0.548
VLA-UCB-53bdeed6-3
0.548
JOH-UNI-d0d90dc1-3
0.548
JAN-GHE-f4ca5a00-21
0.548
MAT-POS-b3e365b9-1
0.547
MAT-POS-b3e365b9-2
0.547
BEN-DND-4f474d93-1
0.547