Molecular Properties | |
SMILES: | NC1=CN(C(=O)CCl)C(=O)C1 |
MW: | 174.02 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 63.4 |
cLogP: | -0.22 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-4b073b5c-14
0.395
AAA-OOO-6ef70637-1
0.302
MAK-UNK-f983951f-21
0.295
MAK-UNK-95198336-3
0.282
SAD-SAT-1b030f84-9
0.282
VIK-SYN-bf9c9ac8-2
0.280
SAD-SAT-d8079f6f-5
0.279
SAD-SAT-edc8a235-10
0.277
MAK-UNK-6c8f5f75-6
0.277
MAK-UNK-95198336-6
0.275
MAK-UNK-95198336-4
0.275
MAK-UNK-95198336-7
0.275
SAD-SAT-d8079f6f-6
0.273
BEN-DND-76ad4ac9-3
0.273
MAK-UNK-95198336-5
0.268
NIM-UNI-43fe0159-1
0.267
SAD-SAT-bc31ec01-2
0.267
MAK-UNK-704ed37c-11
0.267
SAD-SAT-5b1897b2-10
0.263
MAK-UNK-95198336-8
0.262
MAK-UNK-4b073b5c-16
0.262
MAK-UNK-4b073b5c-15
0.261
MAK-UNK-4b073b5c-21
0.261
SAD-SAT-6b5a89f0-2
0.261
AHN-SAT-de2502ba-7
0.259
SAD-SAT-5b1897b2-3
0.259
AAR-POS-d2a4d1df-28
0.258
MAK-UNK-4b073b5c-20
0.255
MAK-UNK-4b073b5c-22
0.255
MAK-UNK-704ed37c-16
0.255
MAK-UNK-987948f6-2
0.255
MAR-TRE-6a44bbf2-87
0.255
DRR-IMP-38dce17f-3
0.255
VIK-SYN-bf9c9ac8-7
0.255
VIK-SYN-9a3d118a-4
0.255
MAK-UNK-7c9d1431-24
0.255
MAK-UNK-6ca90168-11
0.254
MAK-UNK-6ca90168-15
0.254
FAB-UNK-7ad5ab26-3
0.253
HYO-UNK-49a60884-1
0.250
AAR-POS-d2a4d1df-35
0.250
MAK-UNK-95198336-11
0.250
JOH-UNI-0e1753c1-3
0.250
MED-COV-4280ac29-15
0.250
SWA-SYN-d2e6fa14-7
0.250
SWA-SYN-6423ea73-7
0.250
SAD-SAT-d8079f6f-1
0.250
SAD-SAT-d8079f6f-3
0.250
ASH-UNK-e28bb067-5
0.250
SWA-SYN-d2e6fa14-1
0.246
AAR-POS-d2a4d1df-24
0.246
MAK-UNK-6ca90168-4
0.246
MAK-UNK-7c9d1431-12
0.246
BEN-DND-76ad4ac9-2
0.246
MED-COV-4280ac29-6
0.246
SWA-SYN-6423ea73-1
0.246
MAR-TRE-6a44bbf2-4
0.246
AAR-POS-d2a4d1df-32
0.246
LON-WEI-8f408cad-2
0.246
AAR-POS-0daf6b7e-5
0.246
SAD-SAT-65574d3f-1
0.246
AHN-SAT-de2502ba-14
0.246
SIM-SYN-f15aaa3a-1
0.246
MAR-TRE-6a44bbf2-61
0.246
AAR-POS-d2a4d1df-29
0.246
SAD-SAT-3a925b8b-4
0.246
MAK-UNK-52a1ef4b-1
0.245
MAK-UNK-704ed37c-12
0.245
MAK-UNK-750cfbcc-1
0.245
AAR-POS-0daf6b7e-21
0.244
GIA-UNK-7337c2f3-6
0.242
GIA-UNK-7337c2f3-3
0.242
MAK-UNK-3f402c2b-9
0.242
DRR-IMP-38dce17f-2
0.242
ASH-SAT-43770c7d-5
0.242
MAK-UNK-3f402c2b-7
0.242
SAD-SAT-5b1897b2-7
0.242
MAR-TRE-6a44bbf2-33
0.242
SAD-SAT-1b030f84-5
0.241
AAR-POS-0daf6b7e-16
0.241
SAD-SAT-1b030f84-8
0.240
TAM-UNI-d1c3dd9f-12
0.240
SAD-SAT-edc8a235-8
0.240
NIR-THE-c331be7a-1
0.239
SEL-UNI-cd366922-6
0.239
BEN-DND-76ad4ac9-12
0.239
BEN-DND-03406596-2
0.239
MAK-UNK-6ca90168-8
0.239
NIM-UNI-43fe0159-2
0.238
DRR-IMP-dff87f5e-5
0.238
MAK-UNK-987948f6-15
0.238
MAR-TRE-6a44bbf2-8
0.238
AAR-POS-d2a4d1df-34
0.238
MAK-UNK-3f402c2b-25
0.238
MAK-UNK-d4768348-6
0.238
DRR-IMP-38dce17f-1
0.237
MAK-UNK-7c9d1431-9
0.237
MAK-UNK-6ca90168-10
0.237
MAR-TRE-6a44bbf2-21
0.237
SAD-SAT-65574d3f-9
0.237