Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1 |
MW: | 275.14 |
Fraction sp3: | 0.83 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 52.65 |
cLogP: | 0.28 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5927111084 |
MolPort: | MolPort-004-283-525 |
MAR-TRE-6a44bbf2-12
0.509
NIR-THE-b7e8e081-2
0.492
BEN-DND-6de5dfa0-16
0.492
TAT-ENA-80bfd3e5-30
0.483
MAR-TRE-6a44bbf2-47
0.467
MAR-TRE-6a44bbf2-27
0.460
SAD-SAT-1b030f84-9
0.450
TOB-UNK-c2aba166-1
0.449
MAR-TRE-6a44bbf2-3
0.431
AAR-POS-0daf6b7e-21
0.422
MAK-UNK-704ed37c-12
0.408
MAK-UNK-176ca439-1
0.406
MAK-UNK-987948f6-5
0.388
MAK-UNK-4b073b5c-16
0.386
SWA-SYN-6423ea73-5
0.386
SWA-SYN-d2e6fa14-5
0.386
VIK-SYN-bf9c9ac8-2
0.385
MAK-UNK-704ed37c-11
0.383
VIK-SYN-9a3d118a-1
0.377
AAR-POS-d2a4d1df-24
0.377
MAK-UNK-7c9d1431-24
0.375
DRR-IMP-38dce17f-3
0.375
MAK-UNK-987948f6-4
0.373
STE-UNK-13e151dd-1
0.371
SAD-SAT-5b1897b2-2
0.371
SAD-SAT-d8079f6f-5
0.370
SAD-SAT-d8079f6f-3
0.370
MAK-UNK-7c9d1431-29
0.368
MAK-UNK-e4a48a85-14
0.367
ASH-SAT-43770c7d-10
0.367
DRR-IMP-38dce17f-6
0.362
PAU-UNI-8cdd41c7-1
0.362
AHN-SAT-de2502ba-8
0.362
AAR-POS-d2a4d1df-25
0.362
SAD-SAT-d8079f6f-6
0.362
MAR-LAB-ca4662a6-2
0.361
MAK-UNK-6ca90168-16
0.360
MAK-UNK-7c9d1431-21
0.359
AHN-SAT-de2502ba-15
0.359
VIK-SYN-bf9c9ac8-1
0.358
YOI-UNK-15f562e8-4
0.358
SEL-UNI-cd366922-6
0.358
SAD-SAT-581007d4-2
0.355
MAK-UNK-7c9d1431-20
0.355
AHN-SAT-de2502ba-14
0.355
SAD-SAT-65574d3f-1
0.355
MAK-UNK-6ca90168-18
0.353
MAK-UNK-6ca90168-17
0.353
DRR-IMP-38dce17f-1
0.350
MAK-UNK-212f693e-8
0.350
AAR-POS-0daf6b7e-13
0.350
LON-WEI-8f408cad-7
0.350
MAK-UNK-95198336-3
0.349
BEN-DND-6de5dfa0-1
0.348
BEN-DND-03406596-7
0.348
BEN-DND-09b88bf4-2
0.348
SAD-SAT-d8079f6f-4
0.347
SAD-SAT-5b1897b2-9
0.346
MAK-UNK-704ed37c-10
0.346
SAD-SAT-1b030f84-8
0.346
DRR-IMP-38dce17f-5
0.344
AAR-POS-0daf6b7e-17
0.344
MAK-UNK-6ca90168-14
0.344
MAK-UNK-7c9d1431-28
0.344
DRR-IMP-38dce17f-7
0.344
AAR-POS-0daf6b7e-2
0.344
LON-WEI-8f408cad-5
0.344
SAD-SAT-bc31ec01-1
0.344
DAR-DIA-fb20be43-5
0.342
DRR-IMP-38dce17f-4
0.339
AAR-POS-d2a4d1df-27
0.339
AAR-POS-d2a4d1df-35
0.339
MED-COV-4280ac29-15
0.339
JOH-UNI-27ac80fd-4
0.339
JOH-UNI-27ac80fd-23
0.339
AAR-POS-0daf6b7e-12
0.339
MAR-LAB-efb042c5-5
0.339
MAR-TRE-6a44bbf2-68
0.339
HYO-UNK-49a60884-1
0.339
JOH-UNI-0e1753c1-3
0.339
MAR-TRE-c317dd82-6
0.338
DAV-CRI-d1e0885a-4
0.333
DAR-DIA-fb20be43-4
0.333
PAU-UNI-52c0427f-1
0.333
STE-KUL-2e0d2e88-1
0.333
BRU-LEF-ae0885ba-1
0.333
SAD-SAT-581007d4-1
0.333
MAK-UNK-704ed37c-13
0.333
BEN-DND-09b88bf4-8
0.333
SAD-SAT-581007d4-7
0.333
MAT-POS-2db6411e-2
0.333
JOK-SYG-18591e8f-1
0.333
JIA-UNI-93b03cae-1
0.333
DAR-DIA-fb20be43-1
0.329
SEL-UNI-cd366922-9
0.329
TAM-UNI-d1c3dd9f-17
0.329
MED-COV-4280ac29-23
0.329
NIR-THE-0d6461ce-1
0.328
SAD-SAT-5b1897b2-5
0.328
GIA-UNK-7337c2f3-7
0.328