Molecular Properties | |
SMILES: | C=C(C(=O)N1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 350.08 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 42.43 |
cLogP: | 4.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
BEN-DND-f2e727cd-1
0.598
JOH-UNI-ea1df7a8-1
0.556
NIR-WEI-acbd6416-2
0.521
FRA-DIA-a1f3a927-1
0.521
VLA-UNK-58704097-1
0.500
MIC-UNK-b9827f26-3
0.434
ALF-EVA-a24cc7ce-6
0.434
MIC-UNK-b9827f26-4
0.422
JAN-GHE-f4ca5a00-5
0.420
MIC-UNK-b9827f26-5
0.416
NAU-LAT-64bf4c5d-4
0.411
ERI-UCB-9c7ec71b-1
0.411
JOH-UNI-9ad7e798-1
0.411
JAN-GHE-f4ca5a00-4
0.411
MIC-UNK-b9827f26-2
0.392
MAT-POS-54c4bf04-3
0.389
JAN-GHE-f4ca5a00-3
0.386
MIC-UNK-c5a20098-1
0.385
MAT-POS-2905de8c-3
0.382
ERI-UCB-d6de1f3c-2
0.380
JOH-UNI-ea72002d-6
0.378
DAR-DIA-ecdbc7dd-4
0.373
DAR-DIA-5ff57136-15
0.373
MAT-POS-b3e365b9-2
0.373
MAT-POS-f7918075-1
0.373
MAT-POS-b3e365b9-1
0.373
VLA-UCB-1dbca3b4-15
0.373
VLA-UCB-05e51b3f-4
0.371
VLA-UCB-50c39ae8-1
0.371
EDG-MED-971238d3-1
0.369
MAT-POS-9db1e783-1
0.369
DAR-DIA-ecdbc7dd-13
0.367
DAR-DIA-ecdbc7dd-3
0.366
WIL-UCB-7ba4ac3a-2
0.365
MAK-UNK-3875bbc8-2
0.365
RAL-THA-e002e396-2
0.364
MAR-UCB-f313ec4d-6
0.363
PET-UNK-407a74a5-5
0.362
JOH-UNI-ea72002d-7
0.360
DAR-DIA-ecdbc7dd-11
0.360
MAT-POS-8e4737f4-2
0.359
EDJ-MED-e4b030d8-12
0.359
EDG-MED-971238d3-6
0.358
VLA-UCB-05e51b3f-10
0.358
MAT-POS-090737b9-1
0.358
VLA-UCB-50c39ae8-7
0.358
VLA-UCB-34f3ed0c-1
0.357
JOH-UNI-ea72002d-1
0.357
DAR-DIA-ecdbc7dd-16
0.357
DAR-DIA-6a508060-2
0.356
EDJ-MED-e4b030d8-13
0.356
MAT-POS-8e4737f4-1
0.356
DAR-DIA-6a508060-1
0.356
DAR-DIA-6a508060-10
0.356
BEN-DND-a7517465-4
0.356
ERI-UCB-d6de1f3c-7
0.356
EDJ-MED-159244ea-1
0.355
EDG-MED-971238d3-2
0.355
ALP-POS-477dc5b7-4
0.355
MAT-POS-983b399a-1
0.355
ALF-EVA-5b152d2f-6
0.355
MAT-POS-9db1e783-2
0.355
EDG-MED-90036822-2
0.355
MAT-POS-45b13633-3
0.355
ALP-POS-477dc5b7-5
0.355
MAT-POS-e6dd326d-3
0.355
MAT-POS-e20a5dfb-1
0.355
MAT-POS-e20a5dfb-2
0.355
DAR-DIA-5ff57136-18
0.355
ALP-POS-e0fe77e5-7
0.355
MIC-UNK-b9827f26-1
0.353
MAT-POS-e119ab4f-4
0.352
MAT-POS-2bb0cf2b-1
0.352
MAT-POS-e6dd326d-1
0.352
MAT-POS-45b13633-1
0.352
PET-UNK-064639eb-3
0.352
PET-UNK-064639eb-6
0.352
EDG-MED-971238d3-5
0.352
RAL-THA-e002e396-11
0.351
VLA-UNK-4b5c0188-1
0.351
ALP-POS-76eab5ce-2
0.351
JAG-UCB-f37eaa14-3
0.349
MAT-POS-3b97339c-2
0.349
MAT-POS-983b399a-2
0.349
EDG-MED-971238d3-11
0.349
EDJ-MED-159244ea-2
0.349
EDG-MED-971238d3-4
0.349
MAT-POS-2905de8c-2
0.349
NIR-WEI-75ed5c39-1
0.349
ALF-EVA-5b152d2f-1
0.349
MAT-POS-2905de8c-1
0.349
ALF-EVA-5b152d2f-4
0.349
MAT-POS-45b13633-2
0.349
MAT-POS-e6dd326d-2
0.349
VLA-UCB-50c39ae8-6
0.349
VLA-UCB-05e51b3f-9
0.349
EDG-MED-4c68219f-6
0.348
MAT-POS-5d65ec79-2
0.348
RAL-THA-58fba2bc-4
0.348
MAT-POS-f9802937-5
0.348