Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CCl)N1CCN(C(=O)CCl)CC1 |
| MW: | 238.03 |
| Fraction sp3: | 0.75 |
| HBA: | 2 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 40.62 |
| cLogP: | 0.13 |
| Covalent Warhead: | ✔️ |
| Covalent Fragment: | ✔️ |
| Source | |
| Enamine BB: | EN300-01997 |
| Enamine SCR: | Z56887778 |
| Mcule: | MCULE-3898554900 |
| MolPort: | MolPort-002-320-683 |
AAA-OOO-6ef70637-1
AAR-POS-0daf6b7e-21
0.760
MAK-UNK-704ed37c-11
0.731
MAK-UNK-987948f6-5
0.655
MAK-UNK-6ca90168-16
0.655
MAK-UNK-95198336-3
0.652
MAK-UNK-4b073b5c-16
0.640
MAK-UNK-6ca90168-18
0.633
MAK-UNK-704ed37c-12
0.633
MAK-UNK-6ca90168-17
0.633
SAD-SAT-5b1897b2-9
0.613
MAK-UNK-704ed37c-10
0.613
SAD-SAT-1b030f84-8
0.613
MAK-UNK-987948f6-4
0.613
SAD-SAT-d8079f6f-5
0.593
SAD-SAT-d8079f6f-3
0.593
VIK-SYN-bf9c9ac8-1
0.576
YOI-UNK-15f562e8-4
0.576
MAK-UNK-704ed37c-13
0.576
VIK-SYN-bf9c9ac8-2
0.576
SAD-SAT-d8079f6f-6
0.571
VIK-SYN-9a3d118a-1
0.559
MAK-UNK-f983951f-21
0.552
SAD-SAT-bc31ec01-2
0.552
TOB-UNK-c2aba166-1
0.545
MAK-UNK-52a1ef4b-1
0.543
SAD-SAT-d8079f6f-4
0.533
WAR-XCH-b0339bbe-18
0.514
MAK-UNK-95198336-7
0.500
MAK-UNK-987948f6-2
0.500
MAK-UNK-95198336-6
0.500
MAK-UNK-95198336-4
0.500
DRR-IMP-db50bf6e-3
0.487
MAK-UNK-750cfbcc-1
0.485
MAK-UNK-6c8f5f75-1
0.485
MAK-UNK-6ca90168-20
0.475
MAK-UNK-52a1ef4b-2
0.475
MAK-UNK-52a1ef4b-3
0.475
DRR-IMP-db50bf6e-1
0.475
SAD-SAT-3a925b8b-4
0.475
AAR-POS-d2a4d1df-25
0.475
AHN-SAT-de2502ba-8
0.475
MAR-TRE-6a44bbf2-61
0.475
AAR-POS-d2a4d1df-29
0.475
SAD-SAT-3a925b8b-5
0.475
JOH-UNI-27ac80fd-25
0.463
AAR-POS-0daf6b7e-16
0.463
SAD-SAT-1b030f84-5
0.463
SAD-SAT-3a925b8b-1
0.463
VIK-SYN-bf9c9ac8-7
0.462
MAR-TRE-6a44bbf2-87
0.462
MAK-UNK-7c9d1431-24
0.462
VIK-SYN-9a3d118a-4
0.462
DRR-IMP-38dce17f-3
0.462
MAK-UNK-6ca90168-10
0.452
AHN-SAT-de2502ba-7
0.452
SAD-SAT-5b1897b2-6
0.450
MAT-POS-162a9720-4
0.450
MAR-TRE-6a44bbf2-56
0.450
DRR-IMP-11d47bff-1
0.450
MAK-UNK-7c9d1431-29
0.450
SAD-SAT-edc8a235-3
0.444
SAD-SAT-65574d3f-5
0.444
MAK-UNK-6ca90168-15
0.442
MAK-UNK-987948f6-3
0.442
ASH-SAT-43770c7d-10
0.442
SAD-SAT-1b030f84-4
0.442
SWA-SYN-6423ea73-5
0.439
DRR-IMP-38dce17f-6
0.439
SIM-SYN-f15aaa3a-1
0.439
SWA-SYN-d2e6fa14-5
0.439
PAU-UNI-8cdd41c7-1
0.439
MAK-UNK-4b073b5c-17
0.438
SAD-SAT-6b5a89f0-2
0.438
MAK-UNK-95198336-11
0.433
MAK-UNK-750cfbcc-2
0.432
SAD-SAT-581007d4-5
0.432
SAD-SAT-5b1897b2-10
0.429
MAK-UNK-95198336-5
0.429
SWA-SYN-6423ea73-1
0.422
MAK-UNK-6ca90168-4
0.422
SAD-SAT-89668ff1-8
0.422
SWA-SYN-d2e6fa14-1
0.422
MAR-TRE-6a44bbf2-79
0.421
MAK-UNK-750cfbcc-3
0.421
SAD-SAT-5b1897b2-3
0.419
KAT-UNK-c8a6cb16-1
0.419
SAD-SAT-5b1897b2-1
0.419
DRR-IMP-38dce17f-1
0.419
MAK-UNK-212f693e-8
0.419
AAR-POS-0daf6b7e-13
0.419
AAR-POS-0daf6b7e-18
0.419
SAD-SAT-65574d3f-9
0.419
LON-WEI-8f408cad-7
0.419
DRR-IMP-dff87f5e-4
0.419
MAR-TRE-6a44bbf2-21
0.419
MAK-UNK-7c9d1431-9
0.419
MAK-UNK-6ca90168-9
0.413
DRR-IMP-38dce17f-5
0.409
AAR-POS-0daf6b7e-2
0.409
AAR-POS-d2a4d1df-44
0.409