Molecular Properties | |
SMILES: | Cc1ccc2ncc(NC(=O)C3CCOc4ccc(Cl)cc43)n2c1 |
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
MAT-POS-51833a24-1
0.694
BEN-DND-02317c5c-3
0.694
MAT-POS-51833a24-5
0.670
MAT-POS-51833a24-6
0.606
MAT-POS-51833a24-3
0.604
MAT-POS-51833a24-4
0.602
RAL-THA-3d7a794f-4
0.593
RAL-THA-3d7a794f-1
0.556
PET-UNK-3e029fdc-1
0.556
PET-UNK-158bee2a-7
0.545
RAL-THA-3d7a794f-3
0.543
RAL-THA-3d7a794f-2
0.543
JAG-UCB-c61058a9-22
0.538
NAU-LAT-8502cac5-14
0.537
MAT-POS-a3f7f96a-2
0.533
RAL-THA-9041a04d-6
0.526
MAT-POS-8293a91a-1
0.522
TAT-ENA-0e28ea53-1
0.522
MAT-POS-b5c94171-1
0.522
JOH-UNI-1b27fa5e-7
0.522
MAT-POS-1f3c8e6f-1
0.516
LON-WEI-0a73fcb8-3
0.515
NAU-LAT-8502cac5-16
0.511
JAN-GHE-f4ca5a00-13
0.511
MAT-POS-b3e365b9-3
0.511
MAT-POS-b3e365b9-4
0.511
DAR-DIA-6a508060-6
0.511
BRU-CON-c4e3408a-1
0.511
MAT-POS-500f4700-1
0.511
RAL-THA-04c5403f-1
0.510
JOH-UNI-1b27fa5e-5
0.510
RAL-THA-9041a04d-5
0.510
NAU-LAT-8502cac5-10
0.505
RAL-THA-b74298ba-1
0.505
MAT-POS-7ddaf7de-4
0.505
MAT-POS-afb6844f-1
0.505
MAT-POS-a2421bb6-4
0.505
RAL-THA-9041a04d-3
0.505
RAL-THA-9041a04d-2
0.505
RAL-THA-9041a04d-7
0.505
RAL-THA-9041a04d-1
0.500
RAL-THA-9041a04d-4
0.500
MAT-POS-a54ce14d-1
0.500
LON-WEI-0a73fcb8-6
0.500
JAG-UCB-c61058a9-6
0.500
JAG-UCB-c61058a9-44
0.500
ALF-EVA-5b152d2f-2
0.500
BEN-DND-02317c5c-4
0.500
JOH-SUS-a69c159d-1
0.495
ADA-UCB-dc2b944c-12
0.495
MAT-POS-afb6844f-2
0.495
JOH-UNI-1b27fa5e-6
0.495
EDJ-MED-51d3200d-4
0.495
NAU-LAT-8502cac5-11
0.495
NAU-LAT-8502cac5-15
0.495
RAL-THA-b74298ba-3
0.495
EDG-MED-fe7487f8-9
0.495
JAG-UCB-c61058a9-41
0.495
PET-UNK-f4e47ebd-4
0.490
JAG-UCB-c61058a9-9
0.489
RAL-THA-b00e3cbf-1
0.485
MAT-POS-afb6844f-3
0.485
BEN-DND-02317c5c-2
0.485
MAK-UNK-919546f0-1
0.484
MAK-UNK-f481d203-2
0.484
MAK-UNK-f481d203-1
0.484
MAT-POS-14f31916-1
0.480
BEN-DND-a7517465-1
0.480
MAT-POS-d8472c4f-6
0.480
ADA-UCB-dc2b944c-10
0.480
BEN-DND-a7517465-10
0.480
BEN-DND-c852c98b-8
0.480
RAL-THA-b74298ba-2
0.479
JAG-UCB-c61058a9-2
0.479
JAG-UCB-a3ef7265-20
0.479
JAG-UCB-c61058a9-21
0.479
JAG-UCB-119787ef-1
0.479
MAT-POS-968e8d9c-1
0.479
NAU-LAT-b7d8c353-7
0.479
PET-UNK-f4e47ebd-3
0.476
JAG-UCB-52b62a6f-11
0.475
MAK-UNK-919546f0-3
0.475
MAK-UNK-f481d203-5
0.475
MAK-UNK-f481d203-6
0.475
PET-UNK-7f7e354d-1
0.475
PET-UNK-e274cad4-7
0.475
JAG-UCB-c61058a9-7
0.474
EDJ-MED-fb4b7746-1
0.471
MAT-POS-2bb0cf2b-2
0.471
EDJ-MED-fb4b7746-2
0.470
ROB-UNI-569bc02e-7
0.470
JAG-UCB-c61058a9-32
0.470
JAG-UCB-52b62a6f-1
0.470
JOH-SUS-a69c159d-4
0.470
PET-UNK-b1ef24dc-7
0.469
EDJ-MED-51d3200d-3
0.469
MAT-POS-afb6844f-4
0.469
MIC-UNK-7574fcc6-2
0.469
ERI-UCB-9c7ec71b-2
0.469
LON-WEI-0a73fcb8-7
0.469