Molecular Properties | |
SMILES: | O=C(Nc1nncc2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 339.08 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-2
0.625
MAT-POS-f7918075-1
0.625
MAT-POS-b3e365b9-1
0.625
VLA-UCB-1dbca3b4-15
0.625
JOH-UNI-f51e3bbc-3
0.615
ADA-UCB-dc2b944c-9
0.615
JOH-UNI-f51e3bbc-4
0.613
JOH-UNI-1b27fa5e-3
0.604
ADA-UCB-dc2b944c-10
0.598
JOH-UNI-1b27fa5e-1
0.570
JAG-UCB-52b62a6f-17
0.565
JOH-SUS-a69c159d-2
0.565
JOH-UNI-f51e3bbc-2
0.558
JOH-SUS-a69c159d-6
0.554
ALF-EVA-5b152d2f-4
0.553
ADA-UCB-dc2b944c-12
0.548
JOH-SUS-a69c159d-1
0.548
VLA-UNK-0ffe3317-1
0.543
ADA-UCB-dc2b944c-11
0.543
ADA-UCB-b1b30a00-6
0.543
MAT-POS-f9802937-7
0.542
PET-UNK-158bee2a-5
0.538
VLA-UNK-0ffe3317-7
0.538
VLA-UCB-50c39ae8-12
0.537
VLA-UCB-05e51b3f-19
0.537
JOH-SUS-a69c159d-4
0.537
RAL-THA-b00e3cbf-1
0.537
JOH-SUS-a69c159d-3
0.537
VLA-UCB-53bdeed6-2
0.533
ALP-POS-ce760d3f-7
0.532
EDG-MED-5d232de5-2
0.532
BEN-DND-c852c98b-4
0.532
EDJ-MED-ba7e64f2-1
0.532
EDG-MED-5d232de5-1
0.532
ALP-POS-696356e4-1
0.532
ALP-POS-ce760d3f-4
0.531
JOH-UNI-1b27fa5e-4
0.531
EDJ-MED-eff36d94-1
0.531
EDJ-MED-ba7e64f2-3
0.531
RAL-THA-b74298ba-1
0.528
JAG-UCB-52b62a6f-6
0.527
JAG-UCB-52b62a6f-16
0.521
ALF-EVA-5b152d2f-2
0.521
ADA-UCB-dc2b944c-8
0.521
BEN-DND-c852c98b-1
0.520
RUB-POS-1325a9ea-10
0.520
PET-UNK-158bee2a-7
0.517
JAG-UCB-a3ef7265-20
0.516
JAG-UCB-119787ef-1
0.516
MAT-POS-968e8d9c-1
0.516
MAT-POS-500f4700-1
0.516
DAR-DIA-6a508060-2
0.516
ALP-POS-ce760d3f-3
0.516
JOH-UNI-f51e3bbc-1
0.516
BEN-DND-4f474d93-2
0.516
EDJ-MED-ba7e64f2-2
0.516
BEN-DND-a7517465-7
0.515
MAK-UNK-8be7dca9-7
0.515
MIC-UNK-deda7a44-6
0.511
BEN-DND-b89db3f2-1
0.510
BEN-DND-a7517465-5
0.510
RAL-THA-04c5403f-2
0.510
VLA-UCB-05e51b3f-18
0.510
FRA-DIA-e29753f2-1
0.510
NAU-LAT-b7d8c353-3
0.510
JAG-UCB-c61058a9-45
0.510
MAT-UCB-70f7c0f7-6
0.510
VLA-UCB-50c39ae8-11
0.510
ALP-POS-82da25a3-2
0.510
BEN-DND-c852c98b-3
0.510
BEN-DND-c852c98b-5
0.510
MAT-POS-8293a91a-3
0.510
PET-UNK-ee8352fa-4
0.510
ERI-UCB-8d4e5055-4
0.510
LON-WEI-0a73fcb8-6
0.505
ERI-UCB-9c7ec71b-2
0.505
EDJ-MED-e9694d2b-1
0.505
LON-WEI-0a73fcb8-7
0.505
BEN-DND-4f474d93-1
0.505
BEN-DND-4f474d93-3
0.505
PET-UNK-b1ef24dc-7
0.505
ALP-POS-ce760d3f-2
0.505
ALF-EVA-5b152d2f-1
0.505
ALF-EVA-ced740bd-1
0.505
JAG-UCB-52b62a6f-10
0.505
BEN-DND-c852c98b-7
0.505
ALF-EVA-5b152d2f-7
0.500
ALF-EVA-ced740bd-2
0.500
MAT-POS-b3e365b9-3
0.500
MAK-UNK-8be7dca9-6
0.500
NAU-LAT-b7d8c353-8
0.500
MAK-UNK-8be7dca9-8
0.500
EDJ-MED-51d3200d-4
0.500
BEN-DND-a7517465-6
0.500
RAL-THA-04c5403f-1
0.500
RAL-THA-b9d6aec1-3
0.500
DAR-DIA-6a508060-6
0.500
JAN-GHE-f4ca5a00-13
0.500
RAL-THA-b74298ba-2
0.500
EDG-MED-fe7487f8-9
0.500