Molecular Properties | |
SMILES: | Cc1ccc(CN2CCN(C(=O)CCl)CC2)o1 |
MW: | 256.1 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.69 |
cLogP: | 1.47 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-7c9d1431-28
0.582
AAR-POS-0daf6b7e-12
0.492
JOH-UNI-27ac80fd-23
0.492
MAK-UNK-7c9d1431-24
0.491
DRR-IMP-38dce17f-3
0.491
MAK-UNK-7c9d1431-20
0.483
AAR-POS-d2a4d1df-24
0.483
MAK-UNK-7c9d1431-29
0.482
AAR-POS-0daf6b7e-17
0.475
AAR-POS-0daf6b7e-2
0.475
LON-WEI-8f408cad-5
0.475
DRR-IMP-38dce17f-6
0.474
SAD-SAT-581007d4-2
0.459
JIA-UNI-93b03cae-1
0.459
MAK-UNK-212f693e-8
0.458
AAR-POS-0daf6b7e-13
0.458
LON-WEI-8f408cad-7
0.458
DRR-IMP-38dce17f-1
0.458
SAD-SAT-5b1897b2-2
0.452
MAK-UNK-6ca90168-14
0.450
DRR-IMP-38dce17f-7
0.450
DRR-IMP-38dce17f-5
0.450
PAU-UNI-8cdd41c7-1
0.448
MAR-TRE-6a44bbf2-12
0.444
JOH-UNI-0e1753c1-3
0.443
HYO-UNK-49a60884-1
0.443
MED-COV-4280ac29-15
0.443
DRR-IMP-38dce17f-4
0.443
AAR-POS-d2a4d1df-35
0.443
MED-COV-4280ac29-33
0.439
SAD-SAT-581007d4-4
0.439
MAK-UNK-7c9d1431-21
0.438
JOK-SYG-18591e8f-1
0.431
NEH-REV-107bcf72-5
0.429
ASH-SAT-43770c7d-5
0.429
DRR-IMP-38dce17f-2
0.429
SAD-SAT-bc31ec01-1
0.426
MAK-UNK-7c9d1431-14
0.424
MAK-UNK-7c9d1431-16
0.424
MAR-TRE-6a44bbf2-54
0.424
SAD-SAT-65574d3f-10
0.424
SAD-SAT-5b1897b2-5
0.424
JOH-UNI-27ac80fd-38
0.420
TAT-ENA-80bfd3e5-20
0.418
AAR-POS-d2a4d1df-41
0.418
AHN-SAT-de2502ba-15
0.415
MAT-POS-2db6411e-2
0.413
SAD-SAT-581007d4-7
0.413
SAD-SAT-581007d4-1
0.413
SEL-UNI-cd366922-6
0.412
ANT-STE-dbb91f63-1
0.411
MED-COV-4280ac29-37
0.408
MIH-UNI-e573136b-5
0.406
MAT-POS-ee51dedd-1
0.403
TAT-ENA-80bfd3e5-30
0.403
DAV-CRI-d1e0885a-1
0.403
STE-UNK-13e151dd-1
0.403
MAK-UNK-7c9d1431-18
0.400
SAD-SAT-1b030f84-9
0.400
MAK-UNK-176ca439-3
0.400
MAK-UNK-cd94b63c-1
0.400
NAU-LAT-64f4b287-3
0.397
AAR-POS-d2a4d1df-40
0.397
MED-COV-4280ac29-31
0.397
MAK-UNK-af83ef51-1
0.391
SAD-SAT-bc31ec01-7
0.391
SAD-SAT-65574d3f-1
0.391
AHN-SAT-de2502ba-14
0.391
MAR-TRE-6a44bbf2-47
0.388
SEL-UNI-cd366922-7
0.384
TOB-UNK-c2aba166-1
0.382
SAD-SAT-5b1897b2-4
0.381
NEH-REV-107bcf72-3
0.380
PAU-UNI-b2b6b158-1
0.380
AAR-POS-0daf6b7e-21
0.380
TAM-UNI-d1c3dd9f-18
0.378
MED-COV-4280ac29-8
0.378
MED-COV-4280ac29-25
0.378
JOH-UNI-27ac80fd-39
0.378
TAM-UNI-d1c3dd9f-17
0.378
MAK-UNK-987948f6-5
0.377
AHN-SAT-de2502ba-8
0.377
AAR-POS-d2a4d1df-25
0.377
SAD-SAT-581007d4-3
0.377
MAK-UNK-e4a48a85-26
0.377
BEN-DND-6de5dfa0-16
0.375
NIR-THE-b7e8e081-2
0.375
DRR-IMP-38dce17f-8
0.375
HYO-UNK-50298ba0-1
0.375
STE-KUL-2e0d2e88-7
0.375
DAR-DIA-fb20be43-2
0.375
DAR-DIA-fb20be43-7
0.373
MED-COV-4280ac29-24
0.373
DAR-DIA-fb20be43-3
0.373
MAK-UNK-704ed37c-11
0.373
TAM-UNI-d1c3dd9f-16
0.370
DAV-CRI-d1e0885a-6
0.370
PAU-UNI-19862c28-1
0.370
DAR-DIA-fb20be43-8
0.370
MAK-UNK-6ca90168-4
0.369