Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCc1cccc(F)c1)c1cc(F)cc2c1CCOC2 |
MW: | 459.18 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 5.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ROB-UNI-7f6c0db7-1
0.555
RAL-THA-2d450e86-10
0.436
MIC-UNK-cdc2493e-3
0.429
MIC-UNK-c66144cb-1
0.426
ADA-UCB-dc2b944c-18
0.392
MIC-UNK-bcd487e9-1
0.389
RAL-THA-2d450e86-16
0.388
VLA-UCB-34f3ed0c-13
0.387
MIC-UNK-cdc2493e-2
0.383
MIC-UNK-cdc2493e-16
0.381
MIC-UNK-cdc2493e-23
0.379
MIC-UNK-bcd487e9-4
0.378
RAL-THA-2d450e86-35
0.375
ADA-UCB-dc2b944c-6
0.374
MIC-UNK-bcd487e9-10
0.373
ALP-POS-f13221e1-3
0.370
ADA-UCB-dc2b944c-3
0.369
ADA-UCB-dc2b944c-17
0.369
ADA-UCB-dc2b944c-2
0.368
MIC-UNK-bcd487e9-5
0.368
MIC-UNK-cdc2493e-19
0.368
RAL-THA-2d450e86-14
0.367
MIC-UNK-cdc2493e-1
0.364
MIC-UNK-cdc2493e-15
0.361
MIC-UNK-cdc2493e-22
0.361
UNK-UNK-2ede4078-34
0.358
VLA-UCB-05e51b3f-14
0.358
EDJ-MED-c314995a-1
0.358
MIC-UNK-cdc2493e-24
0.358
MIC-UNK-bcd487e9-8
0.358
ALF-EVA-650655fc-6
0.358
MIC-UNK-bcd487e9-3
0.356
MIC-UNK-bcd487e9-9
0.355
RAL-THA-2d450e86-31
0.355
RAL-THA-2d450e86-1
0.353
VLA-UCB-34f3ed0c-6
0.352
RAL-THA-2d450e86-7
0.352
PET-UNK-c9c1e0d8-1
0.352
VLA-UNK-b9c208fe-2
0.352
VLA-UNK-9a7dc93f-1
0.351
ALF-EVA-5b152d2f-1
0.350
MIC-UNK-bcd487e9-2
0.350
VLA-UCB-34f3ed0c-7
0.350
MIC-UNK-482af05e-1
0.349
RAL-THA-2d450e86-26
0.349
ALF-EVA-ced740bd-4
0.348
RAL-THA-05e671eb-13
0.347
RAL-THA-05e671eb-4
0.347
VLA-UCB-1dbca3b4-15
0.347
MAT-POS-f7918075-1
0.347
MAT-POS-b3e365b9-1
0.347
MAT-POS-b3e365b9-2
0.347
ADA-UCB-dc2b944c-7
0.347
MIC-UNK-bcd487e9-7
0.347
VLA-UNK-b9c208fe-1
0.345
VLA-UCB-1dbca3b4-16
0.345
ALP-POS-c86619f0-1
0.345
MIC-UNK-bcd487e9-6
0.344
MIC-UNK-482af05e-2
0.344
ALF-EVA-650655fc-1
0.344
ADA-UCB-6c2cb422-1
0.343
RAL-THA-2d450e86-9
0.342
RAL-THA-2d450e86-11
0.342
RAL-THA-2d450e86-6
0.342
DAR-DIA-0cde14eb-46
0.342
DAR-DIA-0cde14eb-48
0.342
EDG-MED-90036822-15
0.341
MAT-UNK-f490e871-1
0.341
RAL-THA-2d450e86-37
0.340
RAL-THA-2d450e86-13
0.339
NAU-LAT-2fed8305-3
0.339
DAR-DIA-0cde14eb-49
0.339
EDG-MED-90036822-24
0.339
ALF-EVA-650655fc-7
0.338
RAL-THA-2d450e86-30
0.336
RAL-THA-2d450e86-22
0.336
EDJ-MED-12c115cc-2
0.336
MAT-POS-bbbbc21a-2
0.336
MAT-POS-f7918075-2
0.336
EDJ-MED-12c115cc-1
0.336
ALP-UNI-c3ef0aba-2
0.336
BEN-DND-f2e727cd-4
0.336
MIC-UNK-cdc2493e-20
0.336
MIC-UNK-c66144cb-2
0.336
MIC-UNK-cdc2493e-7
0.336
ALF-EVA-650655fc-2
0.333
BEN-DND-a7517465-4
0.333
EDJ-MED-e4b030d8-13
0.333
MAT-POS-8e4737f4-1
0.333
DAR-DIA-6a508060-10
0.333
PAU-WEI-df8f33bc-1
0.333
NAU-LAT-2fed8305-7
0.333
ROB-UNI-718ed485-1
0.333
ALP-POS-02c6a514-32
0.333
EDG-MED-90036822-91
0.333
ALF-EVA-650655fc-4
0.331
EDG-MED-90036822-3
0.331
EDG-MED-90036822-4
0.331
EDG-MED-90036822-63
0.331
MIC-UNK-6e9f8a43-2
0.331