Molecular Properties | |
SMILES: | Cc1cccc2ncc(NC(=O)C3CCOc4ccc(Cl)cc43)n12 |
MW: | 341.09 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 55.63 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-8df914d1-2
BEN-DND-02317c5c-3
0.614
MAT-POS-51833a24-1
0.614
MAT-POS-51833a24-5
0.611
MAT-POS-51833a24-2
0.604
RAL-THA-3d7a794f-4
0.588
MAT-POS-51833a24-6
0.585
MAT-POS-a3f7f96a-2
0.581
MAT-POS-51833a24-4
0.581
RAL-THA-3d7a794f-1
0.568
PET-UNK-3e029fdc-1
0.568
PET-UNK-158bee2a-7
0.558
RAL-THA-3d7a794f-2
0.556
RAL-THA-3d7a794f-3
0.556
RAL-THA-9041a04d-6
0.554
MAT-POS-b5c94171-1
0.551
TAT-ENA-0e28ea53-1
0.551
JAG-UCB-c61058a9-22
0.551
NAU-LAT-8502cac5-14
0.548
RAL-THA-04c5403f-1
0.538
MAT-POS-8293a91a-1
0.533
MAT-POS-1f3c8e6f-1
0.527
MAT-POS-a54ce14d-1
0.526
RAL-THA-9041a04d-4
0.526
RAL-THA-9041a04d-1
0.526
MAT-POS-b3e365b9-4
0.522
BRU-CON-c4e3408a-1
0.522
JAN-GHE-f4ca5a00-13
0.522
DAR-DIA-6a508060-6
0.522
NAU-LAT-8502cac5-16
0.522
MAT-POS-b3e365b9-3
0.522
MAT-POS-500f4700-1
0.522
RAL-THA-9041a04d-5
0.521
ADA-UCB-dc2b944c-12
0.521
JOH-SUS-a69c159d-1
0.521
ADA-UCB-dc2b944c-10
0.521
RAL-THA-b74298ba-1
0.517
NAU-LAT-8502cac5-10
0.517
MAT-POS-7ddaf7de-4
0.516
JOH-UNI-1b27fa5e-7
0.516
MAT-POS-afb6844f-1
0.516
MAT-POS-a2421bb6-4
0.516
RAL-THA-9041a04d-3
0.516
RAL-THA-9041a04d-7
0.515
RAL-THA-9041a04d-2
0.515
JAG-UCB-c61058a9-44
0.511
EDJ-MED-51d3200d-3
0.511
JAG-UCB-52b62a6f-1
0.510
NAU-LAT-8502cac5-11
0.505
JAG-UCB-c61058a9-41
0.505
NAU-LAT-8502cac5-15
0.505
RAL-THA-b74298ba-3
0.505
EDG-MED-fe7487f8-9
0.505
MAT-POS-afb6844f-2
0.505
JOH-SUS-a69c159d-2
0.505
JOH-UNI-1b27fa5e-5
0.505
BEN-DND-a7517465-1
0.505
ADA-UCB-dc2b944c-9
0.505
JOH-UNI-f51e3bbc-3
0.505
BEN-DND-a7517465-6
0.505
ADA-UCB-dc2b944c-11
0.500
BEN-DND-a7517465-11
0.495
EDJ-MED-fb4b7746-1
0.495
MAT-POS-2bb0cf2b-2
0.495
JOH-SUS-a69c159d-4
0.495
JAG-UCB-52b62a6f-2
0.495
JAG-UCB-52b62a6f-3
0.495
MAT-POS-afb6844f-3
0.495
LON-WEI-0a73fcb8-6
0.495
MAK-UNK-919546f0-1
0.495
VLA-UCB-53bdeed6-3
0.495
MAK-UNK-f481d203-1
0.495
MAK-UNK-f481d203-2
0.495
JOH-UNI-16fcdf60-1
0.495
JAG-UCB-c61058a9-6
0.495
JOH-UNI-f51e3bbc-4
0.490
MAT-POS-d8472c4f-6
0.490
MAT-POS-14f31916-1
0.490
PET-UNK-b38839dc-3
0.490
EDJ-MED-51d3200d-4
0.489
JOH-UNI-1b27fa5e-6
0.489
RAL-THA-b74298ba-2
0.489
JAG-UCB-c61058a9-2
0.489
MAT-POS-968e8d9c-1
0.489
JAG-UCB-a3ef7265-20
0.489
JAG-UCB-119787ef-1
0.489
JAG-UCB-c61058a9-21
0.489
NAU-LAT-b7d8c353-7
0.489
NAU-LAT-b7d8c353-5
0.485
JAG-UCB-52b62a6f-11
0.485
JOH-UNI-f51e3bbc-2
0.485
BEN-DND-a7517465-5
0.485
BEN-DND-a7517465-2
0.485
BEN-DND-a7517465-3
0.485
MIC-UNK-b904ca85-2
0.485
PET-UNK-e274cad4-7
0.485
VLA-UNK-0ffe3317-1
0.484
ALP-POS-b3e0acc5-2
0.484
JAG-UCB-c61058a9-7
0.484
JAG-UCB-c61058a9-9
0.484
JAG-UCB-52b62a6f-14
0.480