Molecular Properties | |
SMILES: | Cc1cccc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)c12 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-a7517465-2
0.738
BEN-DND-a7517465-5
0.738
BEN-DND-a7517465-3
0.738
BEN-DND-a7517465-6
0.716
ALF-EVA-ced740bd-1
0.667
ALF-EVA-ced740bd-2
0.659
MAT-POS-b3e365b9-2
0.618
MAT-POS-f7918075-1
0.618
MAT-POS-b3e365b9-1
0.618
VLA-UCB-1dbca3b4-15
0.618
BRU-CON-c4e3408a-1
0.616
MAT-POS-b3e365b9-4
0.616
MAT-POS-b3e365b9-3
0.616
DAR-DIA-6a508060-6
0.616
JAN-GHE-f4ca5a00-13
0.616
BEN-DND-4f474d93-1
0.600
ALP-POS-ce760d3f-2
0.600
BEN-DND-4f474d93-3
0.600
ALF-EVA-5b152d2f-2
0.598
ALP-POS-696356e4-1
0.593
EDG-MED-5d232de5-1
0.593
ALP-POS-ce760d3f-7
0.593
EDG-MED-5d232de5-2
0.593
PET-UNK-03fd2068-1
0.581
MAK-UNK-8be7dca9-9
0.581
MAK-UNK-8be7dca9-5
0.579
BEN-DND-4f474d93-2
0.576
EDJ-MED-ba7e64f2-1
0.576
ALP-POS-ce760d3f-3
0.576
BEN-DND-c852c98b-4
0.576
BEN-DND-c852c98b-3
0.568
MAT-POS-f9802937-7
0.568
BEN-DND-c852c98b-5
0.568
PET-UNK-f4e47ebd-3
0.567
ALF-EVA-5b152d2f-8
0.567
MAK-UNK-f481d203-1
0.567
MAK-UNK-919546f0-1
0.567
MAK-UNK-f481d203-2
0.567
ADA-UCB-dc2b944c-8
0.564
RUB-POS-1325a9ea-10
0.562
BEN-DND-a7517465-11
0.562
PET-UNK-6314f867-1
0.562
WIL-UCB-7ba4ac3a-1
0.558
MAK-UNK-8be7dca9-7
0.558
MAK-UNK-8be7dca9-6
0.557
NAU-LAT-b7d8c353-8
0.557
PET-UNK-f4e47ebd-4
0.551
MAK-UNK-8be7dca9-2
0.551
EDJ-MED-e9694d2b-1
0.549
LON-WEI-0a73fcb8-7
0.549
ERI-UCB-9c7ec71b-2
0.549
JAG-UCB-52b62a6f-13
0.547
EDJ-MED-fb4b7746-1
0.546
EDJ-MED-d1555997-2
0.546
MAT-POS-2bb0cf2b-2
0.546
BEN-DND-c852c98b-1
0.546
BEN-DND-c852c98b-7
0.546
JOH-UNI-1b27fa5e-5
0.543
JOH-SUS-a69c159d-1
0.543
BEN-DND-c852c98b-8
0.543
ADA-UCB-dc2b944c-12
0.543
BEN-DND-a7517465-10
0.543
BEN-DND-a7517465-7
0.542
ALF-EVA-5b152d2f-5
0.541
MAK-UNK-8be7dca9-8
0.541
ALF-EVA-5b152d2f-7
0.541
RAL-THA-3d7a794f-4
0.539
NAU-LAT-b7d8c353-5
0.536
EDG-MED-0e5afe9d-1
0.535
BEN-DND-c852c98b-6
0.535
EDJ-MED-fb4b7746-4
0.535
NAU-LAT-b7d8c353-1
0.533
JOH-SUS-a69c159d-3
0.531
EDJ-MED-fb4b7746-2
0.531
EDG-MED-0e5afe9d-2
0.531
EDJ-MED-fb4b7746-3
0.531
BEN-DND-a7517465-9
0.530
BEN-DND-c852c98b-9
0.530
BEN-DND-c852c98b-2
0.530
JOH-SUS-a69c159d-2
0.526
BEN-DND-a7517465-8
0.526
BEN-DND-c852c98b-10
0.526
EDJ-MED-eff36d94-1
0.526
ALP-POS-ce760d3f-4
0.526
JAG-UCB-c61058a9-7
0.522
JOH-UNI-1b27fa5e-7
0.522
NAU-LAT-b7d8c353-2
0.520
VLA-UCB-53bdeed6-3
0.516
JOH-UNI-1b27fa5e-1
0.515
ALF-EVA-5b152d2f-4
0.515
VLA-UCB-05e51b3f-20
0.515
VLA-UCB-50c39ae8-13
0.515
JAG-UCB-c61058a9-11
0.511
JOH-UNI-1b27fa5e-6
0.511
RAL-THA-3d7a794f-3
0.511
ADA-UCB-dc2b944c-10
0.510
ADA-UCB-b1b30a00-8
0.510
JOH-UNI-6e27fddc-1
0.510
JOH-UNI-ea72002d-8
0.509
NAU-LAT-8502cac5-10
0.505