Molecular Properties | |
SMILES: | CC(=O)N[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1 |
MW: | 343.09 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.65 |
cLogP: | 1.69 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
DAN-LON-a5fc619e-1
0.609
JOH-UNI-0e1753c1-5
0.595
DAN-LON-a5fc619e-3
0.595
SAD-SAT-c989feaa-5
0.581
DAN-LON-a5fc619e-7
0.579
DAN-LON-a5fc619e-6
0.545
DAN-LON-a5fc619e-9
0.545
AAR-POS-d2a4d1df-35
0.478
HYO-UNK-49a60884-1
0.478
MED-COV-4280ac29-15
0.478
JOH-UNI-0e1753c1-3
0.478
DAN-LON-a5fc619e-8
0.473
JOH-UNI-0e1753c1-4
0.469
SAD-SAT-c989feaa-6
0.457
DAN-LON-a5fc619e-2
0.442
SAD-SAT-c989feaa-7
0.439
SAD-SAT-c989feaa-8
0.434
STU-CHA-0be58c98-1
0.434
SAD-SAT-c989feaa-1
0.429
PAT-MCD-fb0933e5-1
0.429
MED-COV-4280ac29-13
0.429
JOH-UNI-23d9e1b1-1
0.425
MAK-UNK-ec98eaf6-44
0.420
MAK-UNK-ec98eaf6-45
0.412
AVI-UNI-70b60925-1
0.411
SAD-SAT-c989feaa-2
0.409
MED-COV-4280ac29-38
0.407
DAN-LON-a5fc619e-4
0.407
MAK-UNK-ec98eaf6-46
0.407
SAD-SAT-c989feaa-9
0.404
DAN-LON-a5fc619e-10
0.398
JOH-UNI-0e1753c1-2
0.397
JOH-IMS-1436231f-2
0.392
MAK-UNK-10799360-33
0.389
MAK-UNK-6ca90168-13
0.387
JOH-UNI-0e1753c1-1
0.385
SAD-SAT-c989feaa-4
0.383
MED-COV-4280ac29-2
0.379
DAN-LON-a5fc619e-5
0.372
SAD-SAT-65574d3f-9
0.370
SAD-SAT-7d5528d9-35
0.370
SAD-SAT-7d5528d9-6
0.363
SAD-SAT-c989feaa-10
0.360
AAR-POS-d2a4d1df-24
0.355
MED-COV-4280ac29-6
0.355
DRR-IMP-38dce17f-2
0.351
MAK-UNK-6ca90168-15
0.347
AVI-UNI-c9bf710f-1
0.344
MED-COV-4280ac29-11
0.341
MAK-UNK-3f402c2b-3
0.341
PAU-WEI-b9b69149-1
0.341
SEA-TRI-9e600f3c-1
0.341
SEA-TRI-146a67b6-1
0.341
NAM-UNK-f7c77a48-3
0.338
JOK-SYG-18591e8f-1
0.338
MIC-UNK-13557a72-1
0.333
AAR-POS-0daf6b7e-29
0.333
JOH-IMS-1436231f-6
0.333
HYO-UNK-1dbfcf16-1
0.333
MED-COV-4280ac29-3
0.330
SAD-SAT-7d5528d9-7
0.330
MAK-UNK-176ca439-2
0.330
PAU-WEI-b9b69149-3
0.330
MED-COV-4280ac29-7
0.329
SAD-SAT-7d5528d9-21
0.329
MAT-POS-500ca5bf-2
0.329
MIC-UNK-42806bd5-1
0.329
ALP-POS-90e38439-2
0.329
BEN-DND-362d364a-1
0.326
MAK-UNK-ec98eaf6-3
0.326
DAR-DIA-3e9bbd81-12
0.325
GIA-UNK-7337c2f3-2
0.325
ALP-POS-8b8a49e1-8
0.325
JOH-UNI-27ac80fd-28
0.325
SAD-SAT-b55127ae-1
0.325
DRR-IMP-dff87f5e-8
0.325
MIC-UNK-42806bd5-2
0.325
ALP-POS-90e38439-3
0.325
ALP-POS-8b8a49e1-5
0.325
PAU-UNI-8cdd41c7-1
0.324
MAK-UNK-cd94b63c-1
0.322
MAK-UNK-176ca439-3
0.322
GIA-UNK-c4371e97-3
0.322
MAT-POS-0bc33984-1
0.321
MED-COV-4280ac29-18
0.321
BEN-DND-76ad4ac9-3
0.321
MED-COV-4280ac29-29
0.321
MED-COV-4280ac29-12
0.321
NAM-UNK-f7c77a48-4
0.321
SAD-SAT-581007d4-2
0.321
MAT-POS-2db6411e-2
0.321
SAD-SAT-581007d4-7
0.321
SEA-TRI-8222e606-1
0.318
ALP-POS-91609ae9-1
0.318
MAK-UNK-10799360-36
0.318
MAT-POS-ee51dedd-1
0.317
ALP-POS-8b8a49e1-7
0.316
ASH-SAT-43770c7d-3
0.313
HYO-UNK-1819783d-1
0.313
MAK-UNK-df1a028e-8
0.312