Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)c2cccc(Cl)c2)CC1 |
MW: | 300.04 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 1.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1562121768 |
AAR-POS-d2a4d1df-24
MED-COV-4280ac29-14
0.623
MAK-UNK-987948f6-2
0.588
DRR-IMP-db50bf6e-3
0.577
ASH-SAT-43770c7d-10
0.564
SAD-SAT-581007d4-5
0.554
DRR-IMP-db50bf6e-2
0.542
MED-COV-4280ac29-15
0.526
JOH-UNI-0e1753c1-3
0.526
AAR-POS-d2a4d1df-35
0.526
HYO-UNK-49a60884-1
0.526
SAD-SAT-65574d3f-9
0.518
AHN-SAT-de2502ba-8
0.509
DRR-IMP-db50bf6e-1
0.509
AAR-POS-d2a4d1df-25
0.509
MAK-UNK-6ca90168-20
0.509
SAD-SAT-3a925b8b-5
0.509
SAD-SAT-581007d4-6
0.508
SAD-SAT-c989feaa-10
0.500
MED-COV-4280ac29-6
0.492
MED-COV-4280ac29-29
0.484
MAK-UNK-987948f6-3
0.483
DRR-IMP-dff87f5e-8
0.468
MED-COV-4280ac29-12
0.460
MAR-TRE-6a44bbf2-61
0.456
AAR-POS-d2a4d1df-29
0.456
SAD-SAT-1b030f84-6
0.455
SAD-SAT-1b030f84-5
0.448
AAR-POS-0daf6b7e-16
0.448
SAD-SAT-1b030f84-9
0.442
DAR-DIA-3e9bbd81-12
0.439
GIA-UNK-7337c2f3-2
0.439
MED-COV-4280ac29-11
0.439
MED-COV-4280ac29-18
0.433
JOH-UNI-27ac80fd-25
0.424
SEA-TRI-8222e606-1
0.423
MED-COV-4280ac29-7
0.420
PAU-WEI-3e86dfd8-2
0.417
MAK-UNK-6ca90168-1
0.415
MAK-UNK-7c9d1431-29
0.414
CAR-INS-33b3c115-2
0.412
SEA-TRI-2c7f3de8-1
0.411
MAT-POS-ee51dedd-1
0.409
MAK-UNK-704ed37c-11
0.408
SAD-SAT-3a925b8b-4
0.407
PAU-UNI-8cdd41c7-1
0.407
BEN-DND-76ad4ac9-8
0.406
SAD-SAT-3a925b8b-1
0.400
HYO-UNK-50298ba0-1
0.400
AAR-POS-d2a4d1df-24
0.397
DRR-IMP-38dce17f-3
0.397
MAK-UNK-7c9d1431-24
0.397
DRR-IMP-dff87f5e-4
0.393
DRR-IMP-38dce17f-1
0.393
PAU-WEI-b9b69149-1
0.392
YOI-UNK-090ea88a-1
0.392
DAN-LON-a5fc619e-1
0.391
DRR-IMP-38dce17f-2
0.391
AAR-POS-0daf6b7e-21
0.388
SAD-SAT-5b1897b2-4
0.387
SIM-SYN-f15aaa3a-1
0.383
TAT-ENA-80bfd3e5-43
0.382
MAK-UNK-7c9d1431-11
0.382
GIA-UNK-4de5abb1-1
0.382
MAR-TRE-6a44bbf2-65
0.382
SAD-SAT-b55127ae-1
0.379
MAK-UNK-6ca90168-17
0.377
MAK-UNK-6ca90168-18
0.377
PAU-WEI-b9b69149-3
0.377
PAU-UNI-19862c28-1
0.375
DAR-DIA-fb20be43-8
0.375
MAT-POS-2db6411e-2
0.375
SAD-SAT-581007d4-1
0.375
SAD-SAT-581007d4-2
0.375
SAD-SAT-581007d4-7
0.375
MED-COV-4280ac29-38
0.375
GIA-UNK-7337c2f3-1
0.373
JOK-SYG-18591e8f-1
0.373
AHN-SAT-de2502ba-3
0.373
DAN-LON-a5fc619e-2
0.371
AHN-SAT-de2502ba-7
0.371
MAK-UNK-6ca90168-10
0.371
MAK-UNK-6ca90168-9
0.369
AAR-POS-d2a4d1df-23
0.369
BEN-DND-03406596-10
0.369
LON-WEI-8f408cad-4
0.369
MAR-TRE-6a44bbf2-18
0.369
DAN-LON-a5fc619e-6
0.368
MAK-UNK-cd94b63c-1
0.368
MAK-UNK-176ca439-3
0.368
MAK-UNK-52a1ef4b-1
0.368
DAN-LON-a5fc619e-9
0.368
SAD-SAT-bc31ec01-5
0.365
AAR-POS-d2a4d1df-44
0.365
DRR-IMP-dff87f5e-3
0.365
PAU-WEI-b9b69149-2
0.362
ALE-SYG-bac15da4-2
0.361
DRR-IMP-38dce17f-6
0.361
SAD-SAT-c989feaa-5
0.360
AAR-POS-d2a4d1df-22
0.359
AAR-POS-0daf6b7e-15
0.359