Molecular Properties | |
SMILES: | O=C(Nc1cnccc1-n1cccn1)C1CCOc2ccc(Cl)cc21 |
MW: | 354.09 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
NAU-LAT-b7d8c353-6
0.663
MAK-UNK-919546f0-1
0.632
MAK-UNK-f481d203-1
0.632
MAK-UNK-f481d203-2
0.632
JAN-GHE-f4ca5a00-13
0.628
MAT-POS-b3e365b9-4
0.628
MAT-POS-b3e365b9-3
0.628
BRU-CON-c4e3408a-1
0.628
DAR-DIA-6a508060-6
0.628
LON-WEI-0a73fcb8-7
0.614
EDJ-MED-e9694d2b-1
0.614
ERI-UCB-9c7ec71b-2
0.614
BEN-DND-4f474d93-3
0.611
BEN-DND-4f474d93-1
0.611
ALP-POS-ce760d3f-2
0.611
BEN-DND-a7517465-7
0.585
BEN-DND-4f474d93-2
0.570
ALP-POS-ce760d3f-3
0.570
MAT-POS-f7918075-1
0.559
MAT-POS-b3e365b9-1
0.559
VLA-UCB-1dbca3b4-15
0.559
MAT-POS-b3e365b9-2
0.559
BEN-DND-a7517465-5
0.547
BEN-DND-a7517465-3
0.547
BEN-DND-a7517465-2
0.547
VLA-UCB-53bdeed6-3
0.543
ADA-UCB-dc2b944c-8
0.542
EDJ-MED-fb4b7746-2
0.542
BEN-DND-a7517465-1
0.536
RAL-THA-3d7a794f-4
0.533
JAG-UCB-c61058a9-7
0.533
EDG-MED-0e5afe9d-1
0.530
EDJ-MED-fb4b7746-4
0.530
EDG-MED-0e5afe9d-2
0.526
JAG-UCB-52b62a6f-13
0.526
MAK-UNK-8be7dca9-9
0.526
EDJ-MED-fb4b7746-3
0.526
JAG-UCB-c61058a9-11
0.521
BEN-DND-c852c98b-4
0.521
EDG-MED-5d232de5-2
0.521
ALP-POS-ce760d3f-7
0.521
BEN-DND-c852c98b-8
0.521
JOH-UNI-f51e3bbc-1
0.521
ALP-POS-696356e4-1
0.521
EDG-MED-5d232de5-1
0.521
BEN-DND-a7517465-10
0.521
ADA-UCB-b1b30a00-8
0.520
BEN-DND-c852c98b-10
0.520
BEN-DND-a7517465-8
0.520
BEN-DND-a7517465-6
0.520
JOH-UNI-1b27fa5e-7
0.516
ADA-UCB-dc2b944c-11
0.515
NAU-LAT-b7d8c353-2
0.515
JOH-UNI-f51e3bbc-2
0.515
JOH-UNI-16fcdf60-1
0.511
VLA-UCB-05e51b3f-20
0.510
VLA-UCB-50c39ae8-13
0.510
JAG-UCB-52b62a6f-16
0.510
ALF-EVA-5b152d2f-2
0.510
BEN-DND-a7517465-11
0.510
MAT-POS-2bb0cf2b-2
0.510
MAK-UNK-8be7dca9-5
0.510
BEN-DND-c852c98b-7
0.510
EDJ-MED-fb4b7746-1
0.510
NAU-LAT-b7d8c353-7
0.505
NAU-LAT-8502cac5-11
0.505
RAL-THA-3d7a794f-3
0.505
JOH-UNI-1b27fa5e-6
0.505
RAL-THA-3d7a794f-2
0.505
ADA-UCB-dc2b944c-12
0.505
JOH-SUS-a69c159d-2
0.505
JOH-SUS-a69c159d-1
0.505
WIL-UCB-7ba4ac3a-1
0.505
MAK-UNK-8be7dca9-7
0.505
NAU-LAT-b7d8c353-8
0.505
ALF-EVA-ced740bd-2
0.505
ALF-EVA-5b152d2f-5
0.505
MAK-UNK-8be7dca9-6
0.505
PET-UNK-3e029fdc-1
0.500
ALF-EVA-5b152d2f-8
0.500
MAT-POS-f9802937-7
0.500
NAU-LAT-8502cac5-10
0.500
RAL-THA-3d7a794f-1
0.500
NAU-LAT-b7d8c353-4
0.500
MAK-UNK-8be7dca9-2
0.500
BEN-DND-b89db3f2-2
0.500
BEN-DND-c852c98b-5
0.500
BEN-DND-c852c98b-3
0.500
JAG-UCB-c61058a9-22
0.500
BEN-DND-c852c98b-9
0.495
BEN-DND-a7517465-9
0.495
ALF-EVA-ced740bd-1
0.495
BEN-DND-c852c98b-1
0.495
JOH-UNI-1b27fa5e-1
0.495
JOH-SUS-a69c159d-3
0.495
JOH-SUS-a69c159d-4
0.495
JAG-UCB-c61058a9-6
0.495
ALF-EVA-5b152d2f-7
0.490
MAK-UNK-8be7dca9-8
0.490
EDJ-MED-eff36d94-1
0.490