Molecular Properties | |
SMILES: | N#Cc1ncc(NC(=O)CCl)c(NC(=O)CCl)n1 |
MW: | 287.0 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 107.77 |
cLogP: | 0.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-17
0.491
MAK-UNK-72659d64-3
0.444
MAK-UNK-849bee6c-26
0.435
MAK-UNK-72659d64-10
0.426
MAK-UNK-72659d64-1
0.414
MAK-UNK-6ca90168-29
0.377
MAK-UNK-72659d64-2
0.373
MAK-UNK-72659d64-11
0.369
MAK-UNK-72659d64-4
0.365
YOI-UNK-144e4c15-1
0.362
MAK-UNK-72659d64-7
0.362
YOI-UNK-97f54f0c-1
0.338
MAK-UNK-72659d64-15
0.333
RAF-SAT-b3ff87a1-4
0.333
MAK-UNK-849bee6c-23
0.330
MAK-UNK-72659d64-13
0.328
MAK-UNK-72659d64-12
0.328
YOI-UNK-144e4c15-2
0.324
AAR-POS-0daf6b7e-20
0.317
MAK-UNK-6ca90168-26
0.311
MAK-UNK-72659d64-5
0.308
MAK-UNK-72659d64-16
0.297
MAK-UNK-72659d64-18
0.297
MAK-UNK-72659d64-6
0.297
MAK-UNK-72659d64-14
0.295
MAK-UNK-72659d64-8
0.294
JIN-POS-6dc588a4-24
0.275
AAR-RCN-934be69e-1
0.275
YOI-UNK-4c10088f-1
0.270
MAK-UNK-849bee6c-25
0.269
AGN-NEW-c7b24fe3-4
0.263
MAK-UNK-ca11b4f7-1
0.262
MED-COV-4280ac29-28
0.262
MAK-UNK-6ca90168-23
0.260
MAR-TRE-6a44bbf2-51
0.258
MAR-TRE-66ac689e-50
0.256
MAR-TRE-a3327163-46
0.256
MAK-UNK-f983951f-23
0.254
YOI-UNK-4c10088f-2
0.254
PRO-INS-c91ddbbd-1
0.254
MAT-POS-e10a589d-4
0.253
MAK-UNK-849bee6c-9
0.253
JOH-UNI-3fc3434e-8
0.253
JOH-UNI-ee5ed7c8-8
0.253
MAK-UNK-ed378e62-4
0.250
MED-COV-4280ac29-3
0.250
AHN-SAT-de2502ba-16
0.250
PET-UNK-6314f867-3
0.250
MAR-TRE-6c5ef77a-74
0.247
EDG-MED-0da5ad92-17
0.247
MAR-TRE-6a44bbf2-60
0.246
SAD-SAT-6b5a89f0-8
0.246
RAL-THA-2d450e86-17
0.244
MAT-POS-cc05818f-1
0.244
MAT-POS-c20a539d-5
0.244
PET-UNK-6314f867-2
0.244
AHN-SAT-de2502ba-19
0.243
MAR-TRE-14ce9fd6-51
0.243
MAK-UNK-f983951f-17
0.241
MAR-TRE-4f781e27-57
0.241
MAK-UNK-849bee6c-7
0.241
ASH-SAT-43770c7d-9
0.239
MAK-UNK-849bee6c-4
0.239
MAK-UNK-849bee6c-16
0.239
MAK-UNK-f983951f-13
0.238
NIR-THE-0d6461ce-7
0.238
MAK-UNK-ed378e62-9
0.237
SAD-SAT-6b5a89f0-10
0.237
TAT-ENA-80bfd3e5-7
0.237
AHN-SAT-de2502ba-17
0.237
AHN-SAT-de2502ba-18
0.237
MAT-POS-fa06b69f-2
0.237
MAR-TRE-6a44bbf2-57
0.237
AAR-RCN-37d0aa00-1
0.236
MAK-UNK-ed378e62-10
0.236
NIM-UNI-7ba87d62-4
0.236
NIM-UNI-7ba87d62-5
0.236
RAL-THA-2d450e86-21
0.235
RUB-POS-1325a9ea-17
0.235
BRU-LEF-ae0885ba-1
0.235
PAU-UNI-52c0427f-1
0.235
DAR-DIA-fb20be43-4
0.235
MAR-TRE-1c920f6f-91
0.234
NIM-UNI-7ba87d62-2
0.233
NIM-UNI-7ba87d62-3
0.233
MAR-TRE-6c5ef77a-96
0.233
MAK-UNK-ed378e62-3
0.232
MAR-TRE-1c920f6f-74
0.232
RUB-POS-1325a9ea-12
0.232
AHN-SAT-de2502ba-9
0.231
MAK-UNK-849bee6c-14
0.230
MAR-TRE-d0525fbf-93
0.230
RAL-THA-2d450e86-28
0.230
PET-UNK-dd44aeb6-3
0.230
ANT-DIA-3c79be55-2
0.230
SAD-SAT-6b5a89f0-1
0.230
MAT-POS-fa06b69f-5
0.229
MAT-POS-bb423b95-2
0.229
TAT-ENA-80bfd3e5-36
0.229
JOH-UNI-6fede743-1
0.229