Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2ccc(-c3ccnc(Cl)n3)c(Cl)c2)CC1 |
MW: | 365.264 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.33 |
cLogP: | 3.1145 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
α-Halogen substituted N-heterocycles
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
BEN-VAN-c986b20b-3
0.589
BEN-VAN-c986b20b-5
0.566
BEN-VAN-c986b20b-16
0.450
BEN-VAN-c986b20b-17
0.432
BEN-VAN-c986b20b-2
0.432
BEN-VAN-c986b20b-1
0.427
BEN-VAN-c986b20b-4
0.417
BEN-VAN-c986b20b-15
0.410
KIM-UNI-2ee5d8f9-1
0.394
PAT-UNK-b2d83456-2
0.377
JAN-GHE-1d98ec1c-3
0.373
JUL-TUD-06b2044f-85
0.373
PAT-UNK-b2d83456-1
0.368
PAT-UNK-b2d83456-3
0.367
BEN-VAN-c986b20b-7
0.367
JAN-GHE-1d98ec1c-1
0.366
JAN-GHE-1d98ec1c-4
0.357
HEI-REL-0c990a45-4
0.356
WIL-LEE-23e8b574-2
0.355
WIL-LEE-23e8b574-4
0.355
JAN-GHE-1d98ec1c-8
0.354
MAK-UNK-6435e6c2-3
0.352
WIL-LEE-23e8b574-3
0.346
JAN-GHE-1d98ec1c-2
0.346
BEN-VAN-c986b20b-13
0.341
HEI-REL-0c990a45-5
0.337
BEN-VAN-c986b20b-8
0.333
JOH-UNI-23d9e1b1-1
0.333
KIM-UNI-7d12df64-1
0.329
KIM-UNI-7d12df64-3
0.325
MIH-UNI-6b9ca91a-9
0.319
MAK-UNK-7c9d1431-18
0.318
MAK-UNK-7c9d1431-16
0.317
MAR-TRE-6a44bbf2-54
0.317
MAK-UNK-6ca90168-13
0.316
MAK-UNK-849bee6c-6
0.316
JAN-GHE-fd8d85a5-10
0.313
MAK-UNK-849bee6c-15
0.313
BEN-VAN-c986b20b-18
0.312
MAK-UNK-6435e6c2-2
0.311
JAN-GHE-fd8d85a5-3
0.310
BEN-VAN-c986b20b-6
0.309
JOH-UNI-0e1753c1-2
0.308
AAR-POS-d2a4d1df-35
0.308
MED-COV-4280ac29-15
0.308
JOH-UNI-0e1753c1-3
0.308
HYO-UNK-49a60884-1
0.308
JAN-GHE-1d98ec1c-5
0.307
SAD-SAT-1f400d17-6
0.307
SAD-SAT-581007d4-2
0.304
AAR-POS-d2a4d1df-24
0.304
ANT-OPE-d972fbad-1
0.303
SAD-SAT-5b1897b2-5
0.301
MAK-UNK-7c9d1431-14
0.301
JOH-UNI-0e1753c1-1
0.301
SAD-SAT-2ceae68f-8
0.301
SAD-SAT-581007d4-8
0.300
DRR-IMP-38dce17f-2
0.300
AHN-SAT-02ef6d10-10
0.300
BEN-VAN-c986b20b-11
0.299
CHR-UNK-e061132b-1
0.298
CHR-UNK-b46452fc-1
0.298
BEN-DND-6de5dfa0-19
0.298
MAK-UNK-af83ef51-10
0.295
TAM-UNI-d1c3dd9f-5
0.293
MAK-UNK-7c9d1431-29
0.293
MAK-UNK-849bee6c-8
0.293
UNK-UNK-2ede4078-98
0.291
JAN-GHE-fd8d85a5-1
0.291
JOH-UNK-14e6adc5-7
0.291
MAK-UNK-849bee6c-2
0.290
DRR-IMP-38dce17f-6
0.289
PAU-UNI-8cdd41c7-1
0.289
JOK-SYG-18591e8f-1
0.289
MAK-UNK-849bee6c-5
0.289
MAT-POS-2db6411e-2
0.287
SAD-SAT-581007d4-1
0.287
SAD-SAT-581007d4-7
0.287
KIM-UNI-7d12df64-2
0.287
BEN-VAN-d8fd1356-21
0.287
VLA-UCB-05e51b3f-3
0.287
SEA-TRI-146a67b6-1
0.284
BEN-DND-6de5dfa0-25
0.282
SAD-SAT-581007d4-4
0.282
JAN-GHE-fd8d85a5-9
0.281
TAM-UNI-d1c3dd9f-6
0.280
BEN-DND-6de5dfa0-17
0.279
BEN-VAN-d8fd1356-20
0.278
SEL-UNI-cd366922-7
0.278
MAK-UNK-849bee6c-3
0.277
MAK-UNK-849bee6c-13
0.277
MAK-UNK-849bee6c-17
0.277
MAK-UNK-7c9d1431-21
0.277
MAK-UNK-902cc841-2
0.277
SAD-SAT-1f400d17-1
0.276
MAK-UNK-176ca439-2
0.276
DRR-IMP-38dce17f-4
0.275
JOH-UNK-14e6adc5-8
0.275
JUL-TUD-06b2044f-30
0.275
BEN-DND-6de5dfa0-26
0.274