Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 |
MW: | 386.03 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 57.69 |
cLogP: | 1.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-6669981 |
Enamine SCR: | Z2285377565 |
Enamine REAL: | Z2285377565 |
Enamine Extended REAL: | m_273270____10883280____10884640 |
Mcule: | MCULE-8213073646 |
MolPort: | MolPort-044-378-577 |
Activated haloaromatics
Filter9_metal
aryl bromide
AAR-POS-0daf6b7e-1
SAD-SAT-1f400d17-1
0.375
SAD-SAT-1f400d17-6
0.369
MAR-TRE-1c920f6f-80
0.367
ANT-OPE-d972fbad-1
0.364
MAK-UNK-10dfa458-1
0.358
MAK-UNK-10dfa458-2
0.353
MAK-UNK-10dfa458-18
0.353
TOB-UNK-c2aba166-2
0.350
JOH-UNI-27ac80fd-26
0.348
PEI-IMP-3d837503-2
0.343
SAD-SAT-b55127ae-10
0.343
SAD-SAT-b55127ae-4
0.343
SAD-SAT-b55127ae-5
0.343
SAD-SAT-581007d4-8
0.338
MAK-UNK-6ca90168-13
0.338
BEN-DND-03ad4429-3
0.338
MAK-UNK-10dfa458-5
0.338
AHN-SAT-02ef6d10-10
0.338
SAD-SAT-2ceae68f-8
0.338
AHN-SAT-02ef6d10-7
0.333
JAG-SYN-9c2cd0bd-1
0.329
AHN-SAT-02ef6d10-6
0.329
DRR-IMP-dff87f5e-7
0.329
SAD-SAT-f0a2747f-6
0.325
MAK-UNK-10dfa458-8
0.316
JOO-IND-6372a4f3-4
0.316
ANT-OPE-c0c3e7cc-1
0.315
SAD-SAT-b55127ae-1
0.311
JOH-UNI-27ac80fd-34
0.311
MAK-UNK-10dfa458-4
0.310
BEN-DND-03ad4429-7
0.310
MAK-UNK-6ca90168-21
0.309
AHN-SAT-02ef6d10-5
0.307
DAV-IMP-59dd6621-23
0.306
NIR-THE-b7e8e081-1
0.304
MAK-UNK-6ca90168-16
0.300
SAD-SAT-3a925b8b-10
0.300
WIL-LEE-23e8b574-7
0.297
MAK-UNK-10dfa458-6
0.296
MAK-UNK-212f693e-24
0.296
MAT-POS-2db6411e-1
0.294
JAN-GHE-4287bd1a-1
0.293
MAT-POS-4e253971-2
0.293
JOH-UNI-27ac80fd-3
0.292
MAK-UNK-6ca90168-12
0.290
WIL-LEE-23e8b574-4
0.288
SAD-SAT-6b5a89f0-9
0.283
JAN-GHE-6413aaf8-7
0.283
STU-CHA-128b80be-2
0.283
AHN-SAT-02ef6d10-3
0.282
STU-CHA-83dacf15-2
0.281
JAN-GHE-6413aaf8-9
0.279
MAK-UNK-10dfa458-7
0.279
MED-COV-4280ac29-14
0.278
MAK-UNK-10dfa458-10
0.276
MAK-UNK-10dfa458-9
0.276
PED-UNI-89deb5c9-1
0.276
MAK-UNK-10dfa458-14
0.275
MAK-UNK-10dfa458-15
0.275
MAK-UNK-6ca90168-2
0.273
JAN-GHE-6413aaf8-5
0.272
SEA-TRI-98d2cd42-1
0.268
AAR-POS-d2a4d1df-15
0.268
JAN-GHE-bf40f168-9
0.267
MAR-TRE-0fda4e82-39
0.264
SAD-SAT-b55127ae-7
0.259
HEI-REL-0c990a45-1
0.256
MAK-UNK-10dfa458-13
0.253
JAG-SYN-9c2cd0bd-3
0.250
JAN-GHE-1d98ec1c-2
0.250
JAN-GHE-6413aaf8-1
0.250
JAN-GHE-1d98ec1c-10
0.247
MAR-TRE-0fda4e82-52
0.247
PAU-UNI-2d648ace-1
0.245
SAD-SAT-1f400d17-4
0.244
HEI-REL-0c990a45-2
0.244
ANT-OPE-3756b28b-1
0.244
MIH-UNI-e573136b-5
0.244
MED-COV-4280ac29-32
0.244
AHN-SAT-02ef6d10-4
0.244
AHN-SAT-02ef6d10-9
0.243
SAD-SAT-1f400d17-2
0.243
DRV-UNK-dd7f8c68-2
0.242
DRV-UNK-64047f27-2
0.242
JAN-GHE-1d98ec1c-1
0.241
JAN-GHE-6413aaf8-6
0.240
JOH-UNI-0e1753c1-2
0.240
JOH-UNI-27ac80fd-24
0.240
SAD-SAT-1f400d17-10
0.237
JIA-UNI-93b03cae-1
0.237
JAY-UNK-11f5bdbd-1
0.237
JAN-GHE-6413aaf8-8
0.235
MAK-UNK-15efde89-1
0.234
SAD-SAT-edc8a235-6
0.232
SAD-SAT-2ceae68f-7
0.231
ATU-SYN-3e3fbfe4-1
0.229
MAK-UNK-752736de-9
0.229
SAD-SAT-2ceae68f-4
0.228
SAD-SAT-b55127ae-9
0.228
SAD-SAT-29425be4-6
0.227