Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc(-c3cc(F)nc(C)n3)c(F)c2)CC1 |
MW: | 346.381 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.33 |
cLogP: | 2.39432 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
α-Halogen substituted N-heterocycles
4-halopyridine
2-halopyridine
BEN-VAN-c986b20b-16
0.657
BEN-VAN-c986b20b-2
0.589
BEN-VAN-c986b20b-4
0.545
BEN-VAN-c986b20b-15
0.519
BEN-VAN-c986b20b-8
0.463
BEN-VAN-c986b20b-3
0.432
BEN-VAN-c986b20b-10
0.432
BEN-VAN-c986b20b-18
0.432
BEN-VAN-c986b20b-1
0.427
PAT-UNK-b2d83456-1
0.405
BEN-VAN-c986b20b-5
0.400
JAN-GHE-1d98ec1c-3
0.390
JAN-GHE-1d98ec1c-1
0.383
PAT-UNK-b2d83456-2
0.377
PAT-UNK-b2d83456-3
0.367
WIL-LEE-23e8b574-3
0.362
JAN-GHE-1d98ec1c-2
0.362
WIL-LEE-23e8b574-2
0.355
WIL-LEE-23e8b574-4
0.355
JAN-GHE-1d98ec1c-8
0.354
MAK-UNK-6435e6c2-3
0.352
BEN-VAN-c986b20b-6
0.352
SAD-SAT-5b1897b2-5
0.350
JAN-GHE-1d98ec1c-4
0.341
BEN-VAN-c986b20b-13
0.341
KIM-UNI-2ee5d8f9-1
0.338
MIH-UNI-6b9ca91a-9
0.333
BEN-VAN-c986b20b-11
0.326
KIM-UNI-7d12df64-3
0.325
JAN-GHE-fd8d85a5-10
0.313
MAK-UNK-6435e6c2-2
0.311
JAN-GHE-fd8d85a5-1
0.306
JOH-UNK-14e6adc5-7
0.306
BEN-DND-6de5dfa0-26
0.305
AAR-POS-d2a4d1df-24
0.304
KIM-UNI-7d12df64-2
0.302
AHN-SAT-02ef6d10-10
0.300
JOH-UNI-23d9e1b1-1
0.300
DRR-IMP-38dce17f-2
0.300
KIM-UNI-7d12df64-1
0.298
BEN-DND-6de5dfa0-25
0.298
JAN-GHE-fd8d85a5-8
0.295
JUL-TUD-06b2044f-85
0.295
BEN-VAN-c986b20b-7
0.295
BEN-VAN-d8fd1356-20
0.292
JAN-GHE-1d98ec1c-5
0.292
JAN-GHE-fd8d85a5-12
0.292
BEN-VAN-d8fd1356-21
0.287
EDJ-MED-3c65e9ce-1
0.286
JOH-UNI-0e1753c1-1
0.286
MAT-POS-ee51dedd-1
0.286
ANT-OPE-d972fbad-1
0.286
BEN-DND-93268d01-8
0.286
HEI-REL-0c990a45-4
0.283
JAN-GHE-fd8d85a5-9
0.281
MAK-UNK-af83ef51-10
0.281
BEN-VAN-d8fd1356-24
0.281
ISA-SCH-8e98219b-2
0.280
TAM-UNI-d1c3dd9f-6
0.280
BEN-DND-6de5dfa0-17
0.279
BEN-DND-6de5dfa0-27
0.279
MAK-UNK-6ca90168-14
0.278
DRR-IMP-38dce17f-7
0.278
JOH-MSK-d60b0211-1
0.278
PAT-UNK-b2d83456-5
0.278
MAK-UNK-902cc841-2
0.277
MAK-UNK-7c9d1431-29
0.276
MAK-UNK-176ca439-2
0.276
JOH-UNI-0e1753c1-2
0.275
MED-COV-4280ac29-15
0.275
HYO-UNK-49a60884-1
0.275
AAR-POS-d2a4d1df-35
0.275
JOH-UNI-0e1753c1-3
0.275
JOH-UNK-14e6adc5-8
0.275
JOK-SYG-18591e8f-1
0.274
JAN-GHE-fd8d85a5-2
0.274
MAK-UNK-7c9d1431-18
0.273
SAD-SAT-1f400d17-6
0.273
JON-UIO-066ce08b-16
0.273
VIT-UNK-2a0afa28-3
0.273
SEA-TRI-f93fcab4-1
0.273
SAD-SAT-581007d4-2
0.272
MAK-UNK-849bee6c-20
0.271
MAR-TRE-6a44bbf2-54
0.271
SAD-SAT-2ceae68f-8
0.271
MAK-UNK-7c9d1431-14
0.271
MAK-UNK-7c9d1431-16
0.271
MAK-UNK-849bee6c-7
0.269
JAN-GHE-fd8d85a5-6
0.269
VIT-UNK-cff011c0-2
0.269
VIC-UNI-33d4332f-2
0.269
MAK-UNK-6ca90168-13
0.268
SAD-SAT-5b1897b2-2
0.268
BEN-VAN-c986b20b-9
0.268
SEL-UNI-cd366922-8
0.267
MAK-UNK-af83ef51-14
0.267
JAN-GHE-fd8d85a5-3
0.267
HEI-REL-0c990a45-5
0.266
NIM-UNI-02269248-3
0.266
TAM-UNI-d1c3dd9f-5
0.266