Molecular Properties | |
SMILES: | Cc1cccc2cncc(N(C)C(=O)[C@@H]3CCOc4cc(F)c(Cl)cc43)c12 |
MW: | 384.1 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 42.43 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-d1eb1f41-17
0.530
MAT-POS-a13804f0-2
0.433
MAT-POS-a13804f0-3
0.433
EDJ-MED-611d11e7-6
0.433
MAT-POS-96f51285-5
0.433
PET-UNK-f4e47ebd-6
0.433
RAL-THA-05e671eb-10
0.433
ALP-POS-fe871b40-9
0.433
ALP-POS-d91e0300-1
0.433
MAT-POS-ec6d90b7-7
0.433
BEN-DND-a7517465-1
0.429
PET-UNK-f4e47ebd-7
0.427
PET-UNK-03fd2068-2
0.425
WIL-UCB-7ba4ac3a-2
0.423
MAK-UNK-3875bbc8-2
0.423
MIC-UNK-67d4a29a-3
0.423
JUL-TUD-06b2044f-90
0.422
PET-UNK-f4e47ebd-5
0.415
MAT-POS-a5ef2d74-1
0.415
EDJ-MED-611d11e7-12
0.415
MAT-POS-ec6d90b7-3
0.415
BEN-DND-d1eb1f41-18
0.413
EDJ-MED-611d11e7-9
0.413
EDJ-MED-611d11e7-3
0.413
MAT-POS-96f51285-3
0.413
MAT-POS-96f51285-4
0.413
BEN-DND-d1eb1f41-13
0.409
PET-UNK-f4e47ebd-8
0.402
MAK-UNK-3875bbc8-1
0.400
BEN-DND-d1eb1f41-11
0.398
BEN-DND-02317c5c-4
0.380
JUL-TUD-06b2044f-66
0.376
MAK-UNK-3875bbc8-3
0.375
ALP-UNI-3735e77e-3
0.370
RAL-THA-05e671eb-11
0.370
VLA-UCB-50c39ae8-1
0.364
VLA-UCB-05e51b3f-4
0.364
BEN-DND-a7517465-3
0.358
BEN-DND-a7517465-5
0.358
LON-WEI-0a73fcb8-1
0.352
LON-WEI-0a73fcb8-2
0.349
BEN-DND-a7517465-2
0.345
DAR-DIA-5ff57136-13
0.345
VLA-UNK-4b5c0188-1
0.345
RAL-THA-05e671eb-9
0.342
JOH-UNI-ea72002d-7
0.342
VLA-UNK-5c5a631c-2
0.339
DAR-DIA-5ff57136-14
0.336
DAR-DIA-5ff57136-18
0.336
JOH-UNI-ea72002d-6
0.336
PET-UNK-064639eb-6
0.333
PET-UNK-064639eb-3
0.333
VLA-UNK-5c5a631c-3
0.333
ALP-POS-a0a4abd7-9
0.331
DAR-DIA-5ff57136-16
0.331
DAR-DIA-5ff57136-11
0.331
VLA-UCB-50c39ae8-6
0.330
BEN-DND-a7517465-6
0.330
VLA-UCB-05e51b3f-9
0.330
JOH-UNI-6e27fddc-1
0.330
ALF-EVA-a24cc7ce-2
0.330
VLA-UCB-34f3ed0c-19
0.328
DAR-DIA-5ff57136-10
0.328
VLA-UCB-05e51b3f-10
0.328
VLA-UCB-50c39ae8-7
0.328
MAT-POS-090737b9-1
0.328
DAR-DIA-5ff57136-19
0.325
DAR-DIA-5ff57136-17
0.325
VLA-UCB-34f3ed0c-20
0.325
MIC-UNK-67d4a29a-2
0.324
LON-WEI-0a73fcb8-5
0.324
ALP-POS-a0a4abd7-8
0.323
VLA-UCB-50c39ae8-4
0.323
VLA-UCB-05e51b3f-7
0.323
ALF-EVA-ced740bd-1
0.322
MAT-POS-afb6844f-2
0.321
DAR-DIA-5ff57136-15
0.319
PET-UNK-ee8352fa-5
0.319
RAL-THA-05e671eb-2
0.318
RYA-UNI-6d7114fd-1
0.318
ALP-POS-869ac754-1
0.318
VLA-UNK-56836b69-4
0.318
NIR-THE-5be8b355-1
0.318
ALP-POS-a0a4abd7-6
0.318
ERI-UCB-9c7ec71b-3
0.318
VLA-UCB-34f3ed0c-1
0.317
JOH-UNI-ea72002d-1
0.317
MIC-UNK-7574fcc6-2
0.315
RAL-THA-05e671eb-3
0.315
ROB-UNI-6ee2df8c-1
0.315
RAL-THA-05e671eb-13
0.315
DAR-DIA-5ff57136-9
0.315
MAT-POS-9db1e783-3
0.315
VLA-UNK-5c5a631c-1
0.312
ALP-POS-a0a4abd7-7
0.311
ALP-POS-6d96567b-2
0.310
ALP-UNI-44c99a80-3
0.309
JOH-UNI-6e27fddc-7
0.308
ALF-EVA-ced740bd-2
0.308
EDJ-MED-a6bab6fb-1
0.308