Molecular Properties | |
SMILES: | Cc1cccn2c(NC(=O)C3CCOc4ccc(Cl)cc43)cnc12 |
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
0.667
MAT-POS-51833a24-1
0.667
MAT-POS-51833a24-5
0.626
MAT-POS-51833a24-2
0.602
RAL-THA-3d7a794f-4
0.586
MAT-POS-51833a24-6
0.583
MAT-POS-51833a24-3
0.581
PET-UNK-158bee2a-7
0.557
RAL-THA-3d7a794f-2
0.554
RAL-THA-3d7a794f-3
0.554
RAL-THA-9041a04d-6
0.553
RAL-THA-3d7a794f-1
0.549
PET-UNK-3e029fdc-1
0.549
MAT-POS-a3f7f96a-2
0.544
MAT-POS-1f3c8e6f-1
0.543
DAR-DIA-6a508060-6
0.538
BRU-CON-c4e3408a-1
0.538
MAT-POS-b3e365b9-3
0.538
JAN-GHE-f4ca5a00-13
0.538
MAT-POS-b3e365b9-4
0.538
RAL-THA-04c5403f-1
0.537
MAT-POS-8293a91a-1
0.533
MAT-POS-afb6844f-1
0.533
MAT-POS-b5c94171-1
0.533
JAG-UCB-c61058a9-22
0.533
TAT-ENA-0e28ea53-1
0.533
NAU-LAT-8502cac5-14
0.531
JAG-UCB-52b62a6f-11
0.531
JAG-UCB-c61058a9-44
0.527
MAT-POS-a54ce14d-1
0.526
RAL-THA-9041a04d-4
0.526
RAL-THA-9041a04d-1
0.525
NAU-LAT-8502cac5-11
0.522
NAU-LAT-8502cac5-16
0.522
MAT-POS-500f4700-1
0.521
RAL-THA-9041a04d-5
0.521
BEN-DND-a7517465-1
0.520
RAL-THA-b74298ba-1
0.516
MAT-POS-7ddaf7de-4
0.516
MAT-UCB-70f7c0f7-6
0.515
RAL-THA-04c5403f-2
0.515
RAL-THA-9041a04d-3
0.515
RAL-THA-9041a04d-2
0.515
RAL-THA-9041a04d-7
0.515
MAT-POS-afb6844f-3
0.510
JAG-UCB-52b62a6f-1
0.510
RAL-THA-b74298ba-3
0.505
EDG-MED-fe7487f8-9
0.505
JAG-UCB-c61058a9-2
0.505
MAT-POS-afb6844f-2
0.505
ADA-UCB-dc2b944c-12
0.505
PET-UNK-b38839dc-3
0.505
JOH-SUS-a69c159d-1
0.505
JOH-UNI-1b27fa5e-5
0.505
MAT-POS-d8472c4f-6
0.505
EDJ-MED-51d3200d-1
0.505
MAT-POS-14f31916-1
0.505
EDJ-MED-51d3200d-2
0.505
PET-UNK-e274cad4-7
0.500
JOH-UNI-1b27fa5e-7
0.500
NAU-LAT-8502cac5-10
0.500
NAU-LAT-b7d8c353-5
0.500
EDJ-MED-51d3200d-3
0.495
MAK-UNK-f481d203-2
0.495
MAK-UNK-f481d203-1
0.495
MAK-UNK-919546f0-1
0.495
EDJ-MED-97c1bf5c-5
0.490
ADA-UCB-dc2b944c-10
0.490
JOH-UNI-1b27fa5e-6
0.490
RAL-THA-b74298ba-2
0.490
EDJ-MED-51d3200d-4
0.490
JAG-UCB-c61058a9-21
0.489
JAG-UCB-c61058a9-41
0.489
NAU-LAT-8502cac5-15
0.489
JAG-UCB-a3ef7265-20
0.489
JAG-UCB-119787ef-1
0.489
MAT-POS-968e8d9c-1
0.489
NAU-LAT-b7d8c353-7
0.489
NAU-LAT-b7d8c353-6
0.485
MAT-POS-14f31916-4
0.485
BEN-DND-a7517465-3
0.485
MAT-POS-a2421bb6-4
0.485
MIC-UNK-deda7a44-6
0.485
MAT-POS-2bb0cf2b-2
0.480
BEN-DND-a7517465-11
0.480
EDJ-MED-fb4b7746-1
0.480
EDJ-MED-fb4b7746-3
0.480
EDG-MED-0e5afe9d-2
0.480
JAG-UCB-c61058a9-32
0.480
ALF-EVA-5b152d2f-2
0.480
RAL-THA-b00e3cbf-1
0.480
JAG-UCB-52b62a6f-13
0.480
MAT-POS-afb6844f-4
0.480
BEN-DND-4f474d93-3
0.480
ALP-POS-ce760d3f-2
0.480
BEN-DND-4f474d93-1
0.480
MAT-POS-b3e365b9-2
0.480
VLA-UCB-1dbca3b4-15
0.480
MAT-POS-b3e365b9-1
0.480
MAT-POS-f7918075-1
0.480