Molecular Properties | |
SMILES: | N#Cc1ncc(CNC(=O)CCl)cn1 |
MW: | 210.03 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 0.2 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-11
0.500
MAK-UNK-72659d64-3
0.490
MAK-UNK-f983951f-23
0.480
MAK-UNK-72659d64-12
0.462
MAK-UNK-72659d64-4
0.446
MAK-UNK-72659d64-18
0.444
MAK-UNK-72659d64-6
0.444
MAK-UNK-72659d64-7
0.396
MAK-UNK-f983951f-26
0.389
MAK-UNK-72659d64-10
0.385
MAR-TRE-6a44bbf2-67
0.381
MAK-UNK-f983951f-11
0.377
MAK-UNK-72659d64-9
0.373
MAR-TRE-6a44bbf2-73
0.364
SAD-SAT-65574d3f-2
0.364
MAK-UNK-849bee6c-9
0.356
MAK-UNK-72659d64-1
0.351
MAR-TRE-6a44bbf2-70
0.344
MAK-UNK-ed378e62-39
0.340
MAK-UNK-ed378e62-29
0.339
MAK-UNK-72659d64-15
0.338
MAK-UNK-ed378e62-4
0.333
AAR-RCN-934be69e-1
0.333
MAK-UNK-849bee6c-4
0.333
MAK-UNK-849bee6c-7
0.324
MAK-UNK-72659d64-17
0.321
SAD-SAT-1b030f84-2
0.321
AAR-POS-d2a4d1df-31
0.317
MAK-UNK-6ca90168-29
0.317
YOI-UNK-4c10088f-2
0.317
MAK-UNK-849bee6c-12
0.316
MAK-UNK-849bee6c-16
0.316
MAK-UNK-72659d64-13
0.312
MAK-UNK-ed378e62-10
0.312
MAK-UNK-ed378e62-28
0.310
MAK-UNK-849bee6c-14
0.308
MAK-UNK-ed378e62-2
0.304
AAR-RCN-98de6bc7-1
0.304
AAR-RCN-ec065b93-1
0.304
MAK-UNK-ed378e62-42
0.291
MAK-UNK-ed378e62-38
0.288
MAK-UNK-f983951f-17
0.288
AAR-RCN-9c8a34f0-1
0.286
MAK-UNK-ed378e62-6
0.286
MAK-UNK-ed378e62-8
0.286
SWA-SYN-6423ea73-7
0.279
SWA-SYN-d2e6fa14-7
0.279
MAK-UNK-72659d64-14
0.276
MAK-UNK-849bee6c-26
0.272
YOI-UNK-144e4c15-1
0.271
MAK-UNK-ed378e62-34
0.271
MAK-UNK-ed378e62-35
0.271
MAR-TRE-6a44bbf2-62
0.270
JOH-UNI-c7afdb96-15
0.270
MAK-UNK-72659d64-5
0.270
MAK-UNK-f983951f-14
0.268
MAK-UNK-ed378e62-27
0.268
MAK-UNK-f983951f-15
0.268
MAR-TRE-6a44bbf2-23
0.268
MAK-UNK-6ca90168-14
0.266
DRR-IMP-38dce17f-7
0.266
VIK-SYN-9a3d118a-8
0.264
JIN-POS-6dc588a4-24
0.260
MAK-UNK-72659d64-16
0.258
MAK-UNK-72659d64-8
0.258
YOI-UNK-144e4c15-2
0.257
MAK-UNK-849bee6c-25
0.256
NIR-THE-0d6461ce-6
0.253
JOH-UNI-ee5ed7c8-8
0.253
JOH-UNI-3fc3434e-8
0.253
GIA-UNK-3f36037a-5
0.250
BRU-LEF-ae0885ba-1
0.250
PAU-UNI-52c0427f-1
0.250
MAR-TRE-6a44bbf2-5
0.250
DAR-DIA-fb20be43-4
0.250
MAK-UNK-ed378e62-41
0.250
MAK-UNK-ed378e62-40
0.250
YOI-UNK-4c10088f-1
0.250
MAK-UNK-849bee6c-23
0.247
TRY-UNI-1fd04853-8
0.247
MED-COV-4280ac29-35
0.247
AGN-NEW-c7b24fe3-4
0.247
MAR-TRE-6a44bbf2-44
0.246
MAK-UNK-ed378e62-30
0.246
MAK-UNK-ed378e62-26
0.246
AAR-POS-f650c5f2-3
0.244
DAV-CRI-d1e0885a-3
0.244
NIR-THE-99f25457-3
0.243
MAK-UNK-ed378e62-43
0.241
SAD-SAT-6b5a89f0-3
0.241
MAK-UNK-ca11b4f7-1
0.241
AAR-RCN-67438d21-1
0.241
MAT-POS-162a9720-9
0.240
MAK-UNK-849bee6c-2
0.239
MAK-UNK-849bee6c-3
0.239
MAK-UNK-849bee6c-17
0.239
MAK-UNK-849bee6c-13
0.239
DAR-DIA-fb20be43-17
0.239
MAK-UNK-ed378e62-36
0.238
MAK-UNK-af83ef51-31
0.238