Molecular Properties | |
SMILES: | O=C(Nc1cncc2cccc(Cl)c12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 372.04 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 5.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-a7517465-5
0.756
BEN-DND-a7517465-2
0.756
BEN-DND-a7517465-1
0.738
ALF-EVA-ced740bd-2
0.713
BEN-DND-a7517465-6
0.713
ALF-EVA-ced740bd-1
0.701
MAT-POS-b3e365b9-1
0.614
MAT-POS-f7918075-1
0.614
MAT-POS-b3e365b9-2
0.614
VLA-UCB-1dbca3b4-15
0.614
ADA-UCB-dc2b944c-8
0.611
BEN-DND-c852c98b-4
0.607
ALP-POS-ce760d3f-2
0.596
BEN-DND-4f474d93-3
0.596
BEN-DND-4f474d93-1
0.596
MAK-UNK-8be7dca9-5
0.591
EDG-MED-5d232de5-2
0.589
EDG-MED-5d232de5-1
0.589
ALP-POS-ce760d3f-3
0.589
ALP-POS-696356e4-1
0.589
ALP-POS-ce760d3f-7
0.589
BEN-DND-4f474d93-2
0.589
WIL-UCB-7ba4ac3a-1
0.587
MAK-UNK-8be7dca9-9
0.576
ALF-EVA-5b152d2f-2
0.576
DAR-DIA-6a508060-6
0.575
BRU-CON-c4e3408a-1
0.575
JAN-GHE-f4ca5a00-13
0.575
MAT-POS-b3e365b9-4
0.575
MAT-POS-b3e365b9-3
0.575
MAK-UNK-8be7dca9-7
0.570
MAK-UNK-8be7dca9-6
0.568
NAU-LAT-b7d8c353-8
0.568
ALF-EVA-5b152d2f-7
0.568
MAT-POS-f9802937-7
0.564
BEN-DND-c852c98b-3
0.564
BEN-DND-c852c98b-5
0.564
ALF-EVA-5b152d2f-8
0.562
MAK-UNK-8be7dca9-2
0.562
EDJ-MED-e9694d2b-1
0.562
MAK-UNK-f481d203-1
0.562
ERI-UCB-9c7ec71b-2
0.562
MAK-UNK-f481d203-2
0.562
LON-WEI-0a73fcb8-7
0.562
MAK-UNK-919546f0-1
0.562
EDJ-MED-fb4b7746-2
0.559
EDG-MED-0e5afe9d-2
0.559
JAG-UCB-52b62a6f-13
0.559
EDJ-MED-fb4b7746-3
0.559
BEN-DND-c852c98b-7
0.558
BEN-DND-c852c98b-1
0.558
BEN-DND-a7517465-10
0.554
BEN-DND-c852c98b-8
0.554
ALF-EVA-5b152d2f-5
0.552
MAK-UNK-8be7dca9-8
0.552
RAL-THA-3d7a794f-4
0.552
JOH-UNI-1b27fa5e-7
0.551
NAU-LAT-b7d8c353-5
0.547
BEN-DND-c852c98b-6
0.546
EDJ-MED-fb4b7746-4
0.546
EDG-MED-0e5afe9d-1
0.546
MAT-POS-2bb0cf2b-2
0.542
BEN-DND-a7517465-11
0.542
EDJ-MED-fb4b7746-1
0.542
BEN-DND-a7517465-9
0.541
BEN-DND-c852c98b-2
0.541
BEN-DND-c852c98b-9
0.541
BEN-DND-a7517465-8
0.537
BEN-DND-a7517465-7
0.537
BEN-DND-c852c98b-10
0.537
JAG-UCB-c61058a9-7
0.533
NAU-LAT-b7d8c353-2
0.531
NAU-LAT-b7d8c353-6
0.531
NAU-LAT-b7d8c353-1
0.527
VLA-UCB-53bdeed6-3
0.527
JOH-SUS-a69c159d-3
0.526
JAG-UCB-c61058a9-11
0.522
JOH-UNI-1b27fa5e-6
0.522
JOH-UNI-1b27fa5e-5
0.521
JOH-SUS-a69c159d-2
0.521
ADA-UCB-dc2b944c-12
0.521
JOH-SUS-a69c159d-1
0.521
JOH-UNI-ea72002d-8
0.519
NAU-LAT-8502cac5-10
0.517
RAL-THA-3d7a794f-1
0.516
PET-UNK-3e029fdc-1
0.516
ADA-UCB-dc2b944c-11
0.516
JOH-UNI-f51e3bbc-2
0.515
MAK-UNK-8be7dca9-4
0.515
JAG-UCB-c61058a9-6
0.511
ALF-EVA-5b152d2f-3
0.511
JOH-SUS-a69c159d-4
0.510
JOH-UNI-1b27fa5e-1
0.510
VLA-UCB-05e51b3f-20
0.510
VLA-UCB-50c39ae8-13
0.510
ALF-EVA-5b152d2f-4
0.510
MAK-UNK-8be7dca9-1
0.509
JAG-UCB-c61058a9-41
0.505
RAL-THA-3d7a794f-3
0.505
ROB-UNI-569bc02e-3
0.505