Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)c2cocn2)CC1 |
MW: | 257.06 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 66.65 |
cLogP: | 0.2 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-27
AAR-POS-d2a4d1df-29
0.481
MAR-TRE-6a44bbf2-61
0.481
SAD-SAT-3a925b8b-5
0.481
SAD-SAT-1b030f84-9
0.475
SAD-SAT-3a925b8b-3
0.466
JOH-UNI-27ac80fd-25
0.446
AAR-POS-0daf6b7e-16
0.446
SAD-SAT-3a925b8b-1
0.446
AAR-POS-0daf6b7e-21
0.444
MAK-UNK-987948f6-2
0.444
DRR-IMP-db50bf6e-3
0.436
DRR-IMP-db50bf6e-1
0.429
AHN-SAT-de2502ba-8
0.429
AAR-POS-d2a4d1df-25
0.429
MAK-UNK-6ca90168-20
0.429
SAD-SAT-1b030f84-5
0.421
VIK-SYN-bf9c9ac8-7
0.418
MAR-TRE-6a44bbf2-87
0.418
VIK-SYN-9a3d118a-4
0.418
MAK-UNK-6ca90168-15
0.407
MAK-UNK-987948f6-3
0.407
ASH-SAT-43770c7d-10
0.407
MAK-UNK-704ed37c-11
0.404
SAD-SAT-581007d4-5
0.400
MAK-UNK-52a1ef4b-1
0.389
MAK-UNK-987948f6-5
0.380
MAK-UNK-6ca90168-16
0.380
DRR-IMP-38dce17f-6
0.379
DRR-IMP-db50bf6e-2
0.375
MAK-UNK-f983951f-21
0.375
MAK-UNK-6ca90168-17
0.373
MAK-UNK-704ed37c-12
0.373
MAK-UNK-6ca90168-18
0.373
SAD-SAT-5b1897b2-8
0.371
MAK-UNK-6ca90168-1
0.369
SAD-SAT-581007d4-6
0.369
DRR-IMP-38dce17f-3
0.368
MAK-UNK-7c9d1431-24
0.368
SAD-SAT-5b1897b2-1
0.367
SAD-SAT-5b1897b2-3
0.367
MAK-UNK-987948f6-4
0.365
MAK-UNK-704ed37c-10
0.365
SAD-SAT-1b030f84-8
0.365
SAD-SAT-5b1897b2-9
0.365
MAK-UNK-7c9d1431-29
0.362
SAD-SAT-1b030f84-4
0.361
MAK-UNK-7c9d1431-28
0.361
DRR-IMP-38dce17f-5
0.361
VIK-SYN-9a3d118a-2
0.359
VIK-SYN-bf9c9ac8-6
0.359
BEN-DND-76ad4ac9-8
0.359
PAU-UNI-8cdd41c7-1
0.356
MAK-UNK-52a1ef4b-3
0.356
MAK-UNK-d4768348-4
0.355
SAD-SAT-3a925b8b-2
0.355
DRR-IMP-38dce17f-4
0.355
WAR-XCH-79d12f6e-9
0.353
VIK-SYN-bf9c9ac8-2
0.352
VIK-SYN-bf9c9ac8-1
0.352
YOI-UNK-15f562e8-4
0.352
MAK-UNK-704ed37c-13
0.352
JAY-UNK-11f5bdbd-1
0.349
MAK-UNK-4b073b5c-16
0.348
SAD-SAT-bc31ec01-2
0.347
VIK-SYN-9a3d118a-1
0.345
AAR-POS-0daf6b7e-13
0.344
MAK-UNK-212f693e-8
0.344
LON-WEI-8f408cad-7
0.344
AHN-SAT-de2502ba-7
0.344
MAK-UNK-6ca90168-10
0.344
MAR-TRE-6a44bbf2-54
0.343
MAK-UNK-7c9d1431-16
0.343
MAK-UNK-7c9d1431-14
0.343
MAK-UNK-95198336-3
0.341
SAD-SAT-6b5a89f0-2
0.340
MAT-POS-162a9720-4
0.339
AAR-POS-0daf6b7e-2
0.339
DRR-IMP-38dce17f-7
0.339
AAR-POS-0daf6b7e-17
0.339
MAK-UNK-6ca90168-14
0.339
LON-WEI-8f408cad-5
0.339
SAD-SAT-bc31ec01-5
0.339
MAR-TRE-6a44bbf2-12
0.338
GIA-UNK-a79af1bc-1
0.338
MED-COV-4280ac29-33
0.338
SIM-SYN-f15aaa3a-1
0.333
HYO-UNK-49a60884-1
0.333
PEI-IMP-ca0b2813-2
0.333
TOB-UNK-c2aba166-1
0.333
MED-COV-4280ac29-15
0.333
JOH-UNI-27ac80fd-23
0.333
AAR-POS-0daf6b7e-12
0.333
WAR-XCH-79d12f6e-7
0.333
JOH-UNI-0e1753c1-3
0.333
AAR-POS-d2a4d1df-35
0.333
MAK-UNK-52a1ef4b-2
0.333
YOI-UNK-090ea88a-1
0.333
SAD-SAT-d8079f6f-3
0.333
SAD-SAT-d8079f6f-5
0.333
MAK-UNK-af83ef51-1
0.333