Molecular Properties | |
SMILES: | CC1CN(C(=O)CCl)CCN1Cc1ccc(Br)s1 |
MW: | 351.697 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.7821 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Filter9_metal
aryl bromide
SAL-INS-1c7a5a55-11
0.569
SAL-INS-1c7a5a55-12
0.532
JOH-UNI-27ac80fd-23
0.500
AAR-POS-0daf6b7e-12
0.500
MAK-UNK-3f402c2b-21
0.493
JOH-UNI-27ac80fd-35
0.486
JOH-UNI-27ac80fd-29
0.486
JOH-UNI-27ac80fd-8
0.400
JOH-UNI-27ac80fd-24
0.391
JOH-UNI-27ac80fd-25
0.368
MED-COV-4280ac29-38
0.367
NIM-UNI-05f93fcc-1
0.366
JOH-UNI-27ac80fd-33
0.365
SAD-SAT-c989feaa-4
0.359
PAT-MCD-fb0933e5-1
0.351
JOH-UNI-27ac80fd-32
0.342
AAR-POS-0daf6b7e-2
0.338
JOH-UNI-27ac80fd-30
0.338
AAR-POS-d2a4d1df-33
0.333
MAR-TRE-6a44bbf2-39
0.333
DAN-LON-a5fc619e-1
0.329
SAD-SAT-c989feaa-1
0.326
SAD-SAT-c989feaa-3
0.325
JOK-SYG-8934678c-1
0.325
MAK-UNK-3f402c2b-16
0.325
JOH-UNI-0e1753c1-5
0.318
DAN-LON-a5fc619e-3
0.318
SAD-SAT-c989feaa-8
0.314
STU-CHA-0be58c98-1
0.314
DAN-LON-a5fc619e-9
0.314
ANT-OPE-3756b28b-1
0.312
DAN-LON-a5fc619e-7
0.310
NIM-UNI-7ba87d62-5
0.308
SAD-SAT-c989feaa-5
0.306
JOH-UNI-27ac80fd-27
0.300
DAN-LON-a5fc619e-6
0.299
MAR-LAB-ca4662a6-2
0.297
SAD-SAT-c989feaa-2
0.297
HYO-UNK-1dbfcf16-1
0.297
PAU-UNI-8cdd41c7-1
0.296
NIR-THE-0d6461ce-10
0.295
SAD-SAT-d8079f6f-4
0.295
SAD-SAT-f2e2579e-9
0.293
SAD-SAT-c989feaa-9
0.293
JOH-UNI-27ac80fd-38
0.293
JOH-UNI-27ac80fd-7
0.293
DUN-NEW-f8ce3686-22
0.291
PAU-WEI-3e86dfd8-2
0.291
BEN-VAN-c986b20b-14
0.289
PAU-WEI-f734c343-3
0.289
SAD-SAT-bc31ec01-6
0.286
YOI-UNK-12211982-4
0.286
YOI-UNK-a533afbc-4
0.286
MAK-UNK-7c9d1431-28
0.284
AAR-POS-0daf6b7e-17
0.284
LON-WEI-8f408cad-5
0.284
DRR-IMP-38dce17f-5
0.284
WAR-XCH-b0339bbe-18
0.284
AAR-POS-d2a4d1df-30
0.282
TAT-ENA-80bfd3e5-13
0.282
MAK-UNK-c97f7c8f-2
0.280
DRR-IMP-38dce17f-4
0.280
PAU-WEI-3e86dfd8-1
0.280
JOH-UNI-27ac80fd-39
0.279
MAK-UNK-704ed37c-11
0.279
MAK-UNK-212f693e-11
0.278
DRR-IMP-38dce17f-6
0.278
GIA-UNK-c4371e97-2
0.276
SAD-SAT-c989feaa-10
0.276
SAD-SAT-65574d3f-6
0.275
MAK-UNK-3f402c2b-26
0.275
AAR-POS-0daf6b7e-16
0.274
SAD-SAT-29425be4-14
0.274
SAD-SAT-5b1897b2-2
0.273
MAK-UNK-ec98eaf6-11
0.272
MAK-UNK-c97f7c8f-1
0.272
HYO-UNK-1819783d-1
0.272
IND-SYN-6c8299e8-1
0.271
AAR-POS-0daf6b7e-13
0.270
MAK-UNK-212f693e-8
0.270
SAD-SAT-5b1897b2-1
0.270
DAN-PUR-3907f623-1
0.270
SAD-SAT-5b1897b2-3
0.270
LON-WEI-8f408cad-7
0.270
MAK-UNK-95198336-9
0.270
MAK-UNK-7c9d1431-27
0.269
VIK-SYN-9a3d118a-2
0.269
GIA-UNK-a79af1bc-1
0.269
VIK-SYN-bf9c9ac8-6
0.269
SAD-SAT-edc8a235-7
0.269
MAK-UNK-c74072e5-2
0.268
SEA-TRI-f744d433-1
0.268
SAD-SAT-1b030f84-9
0.268
MAR-TRE-6a44bbf2-87
0.268
VIK-SYN-9a3d118a-4
0.268
DRR-IMP-38dce17f-3
0.268
MAK-UNK-7c9d1431-24
0.268
VIK-SYN-bf9c9ac8-7
0.268
NIM-UNI-05f93fcc-13
0.267
THO-SYG-f9b2970d-4
0.267