Molecular Properties | |
SMILES: | Cc1ccn2c(NC(=O)C3CCOc4ccc(Cl)cc43)cnc2c1 |
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-51833a24-6
0.765
MAT-POS-51833a24-1
0.702
BEN-DND-02317c5c-3
0.702
MAT-POS-51833a24-2
0.670
MAT-POS-51833a24-4
0.626
MAT-POS-51833a24-3
0.611
RAL-THA-3d7a794f-4
0.600
MAT-POS-1f3c8e6f-1
0.556
PET-UNK-158bee2a-7
0.552
RAL-THA-3d7a794f-3
0.549
RAL-THA-3d7a794f-2
0.549
PET-UNK-3e029fdc-1
0.544
JAG-UCB-c61058a9-22
0.544
JOH-UNI-1b27fa5e-7
0.544
MAT-POS-8293a91a-1
0.544
RAL-THA-3d7a794f-1
0.544
NAU-LAT-8502cac5-14
0.543
MAT-POS-a3f7f96a-2
0.539
MAT-POS-500f4700-1
0.533
RAL-THA-9041a04d-6
0.532
JOH-SUS-a69c159d-1
0.532
JOH-UNI-1b27fa5e-5
0.532
ADA-UCB-dc2b944c-12
0.532
NAU-LAT-8502cac5-10
0.528
MAT-POS-b5c94171-1
0.527
TAT-ENA-0e28ea53-1
0.527
JAN-GHE-f4ca5a00-13
0.516
NAU-LAT-8502cac5-11
0.516
NAU-LAT-8502cac5-16
0.516
DAR-DIA-6a508060-6
0.516
MAT-POS-b3e365b9-4
0.516
MAT-POS-b3e365b9-3
0.516
BRU-CON-c4e3408a-1
0.516
JOH-UNI-1b27fa5e-6
0.516
RAL-THA-9041a04d-5
0.516
RAL-THA-04c5403f-1
0.516
RAL-THA-b74298ba-1
0.511
MAT-POS-7ddaf7de-4
0.511
MAT-POS-afb6844f-1
0.511
MAT-POS-a2421bb6-4
0.511
RAL-THA-9041a04d-3
0.510
RAL-THA-9041a04d-7
0.510
RAL-THA-9041a04d-2
0.510
JAG-UCB-c61058a9-44
0.505
BEN-DND-02317c5c-2
0.505
BEN-DND-02317c5c-4
0.505
RAL-THA-9041a04d-4
0.505
MAT-POS-a54ce14d-1
0.505
ALF-EVA-5b152d2f-2
0.505
RAL-THA-9041a04d-1
0.505
RAL-THA-b74298ba-3
0.500
JAG-UCB-c61058a9-41
0.500
MAT-POS-afb6844f-2
0.500
NAU-LAT-8502cac5-15
0.500
NAU-LAT-b7d8c353-7
0.500
EDG-MED-fe7487f8-9
0.500
ADA-UCB-dc2b944c-10
0.500
JAG-UCB-52b62a6f-11
0.495
PET-UNK-e274cad4-7
0.495
JOH-SUS-a69c159d-4
0.490
RAL-THA-b00e3cbf-1
0.490
LON-WEI-0a73fcb8-3
0.490
JOH-SUS-a69c159d-3
0.490
MAT-POS-afb6844f-4
0.490
EDJ-MED-51d3200d-3
0.490
MAT-POS-afb6844f-3
0.490
NAU-LAT-b7d8c353-1
0.489
LON-WEI-0a73fcb8-6
0.489
MAK-UNK-919546f0-1
0.489
MAK-UNK-f481d203-1
0.489
MAK-UNK-f481d203-2
0.489
JAG-UCB-c61058a9-6
0.489
MAT-POS-d8472c4f-6
0.485
MAT-POS-14f31916-1
0.485
EDJ-MED-51d3200d-1
0.485
EDJ-MED-51d3200d-2
0.485
JOH-SUS-a69c159d-2
0.485
EDJ-MED-51d3200d-4
0.484
RAL-THA-b74298ba-2
0.484
JAG-UCB-c61058a9-2
0.484
JAG-UCB-119787ef-1
0.484
JAG-UCB-c61058a9-21
0.484
MAT-POS-968e8d9c-1
0.484
JAG-UCB-a3ef7265-20
0.484
PET-UNK-f4e47ebd-4
0.480
PET-UNK-f4e47ebd-3
0.480
JOH-UNI-f51e3bbc-2
0.480
ADA-UCB-dc2b944c-11
0.480
MIC-UNK-deda7a44-6
0.479
JAG-UCB-c61058a9-9
0.479
JAG-UCB-c61058a9-7
0.479
EDJ-MED-fb4b7746-1
0.475
JAG-UCB-52b62a6f-14
0.475
MAT-POS-2bb0cf2b-2
0.475
EDJ-MED-fb4b7746-2
0.475
JAG-UCB-52b62a6f-1
0.475
JAG-UCB-c61058a9-32
0.475
PET-UNK-b1ef24dc-5
0.474
JOH-UNI-d0d90dc1-3
0.474
EDG-MED-fe7487f8-8
0.474