Molecular Properties | |
SMILES: | N#Cc1ncc(CNC(=O)CCl)c(CNC(=O)CCl)n1 |
MW: | 315.03 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 107.77 |
cLogP: | 0.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-18
0.509
MAK-UNK-72659d64-2
0.500
MAK-UNK-72659d64-4
0.435
MAK-UNK-72659d64-12
0.424
MAK-UNK-72659d64-15
0.418
MAK-UNK-72659d64-3
0.397
MAK-UNK-72659d64-9
0.369
MAK-UNK-72659d64-1
0.349
MAK-UNK-f983951f-23
0.344
MAK-UNK-72659d64-10
0.333
MAK-UNK-72659d64-7
0.323
MAK-UNK-72659d64-6
0.303
MAK-UNK-72659d64-17
0.302
SAD-SAT-1b030f84-2
0.302
MAK-UNK-72659d64-13
0.296
NIR-THE-99f25457-3
0.282
YOI-UNK-4c10088f-2
0.279
MAK-UNK-f983951f-26
0.277
AHN-SAT-de2502ba-2
0.276
MAR-TRE-6a44bbf2-30
0.276
MAK-UNK-72659d64-5
0.275
AHN-SAT-de2502ba-12
0.269
MAR-TRE-6a44bbf2-20
0.269
SAD-SAT-65574d3f-8
0.269
MAR-TRE-6a44bbf2-67
0.267
MAR-TRE-6a44bbf2-34
0.266
MAK-UNK-f983951f-11
0.266
MAK-UNK-72659d64-8
0.264
MAK-UNK-72659d64-14
0.262
MAK-UNK-6ca90168-29
0.261
YOI-UNK-144e4c15-1
0.260
AAR-RCN-98de6bc7-1
0.259
MAK-UNK-ed378e62-4
0.259
AAR-RCN-934be69e-1
0.259
DUN-NEW-f8ce3686-21
0.259
MAK-UNK-849bee6c-4
0.258
MAR-TRE-6a44bbf2-73
0.258
SAD-SAT-65574d3f-2
0.258
MAR-TRE-6a44bbf2-70
0.253
MAK-UNK-849bee6c-26
0.250
MAK-UNK-849bee6c-7
0.247
AAR-POS-d2a4d1df-31
0.247
MAK-UNK-72659d64-16
0.246
MAK-UNK-ed378e62-10
0.246
MAK-UNK-849bee6c-2
0.245
MAK-UNK-849bee6c-3
0.245
JOH-UNI-3fc3434e-8
0.244
MAK-UNK-849bee6c-9
0.244
JOH-UNI-ee5ed7c8-8
0.244
MAR-TRE-a78003aa-46
0.244
RAL-THA-2d450e86-21
0.241
MAR-TRE-6a44bbf2-23
0.241
MAK-UNK-ed378e62-35
0.239
MAR-UCB-195bc32d-24
0.237
AAR-RCN-ec065b93-1
0.236
MAK-UNK-ed378e62-2
0.236
MAK-UNK-849bee6c-14
0.236
MAK-UNK-ed378e62-42
0.234
YOI-UNK-144e4c15-2
0.232
DAR-DIA-fb20be43-17
0.232
MAK-UNK-849bee6c-12
0.231
MAK-UNK-849bee6c-16
0.231
NIR-THE-0d6461ce-6
0.230
BEN-DND-61647d40-6
0.230
MAK-UNK-ed378e62-38
0.230
JOH-UNI-ee5ed7c8-9
0.228
JOH-UNI-3fc3434e-9
0.228
MAK-UNK-849bee6c-23
0.228
TRY-UNI-1fd04853-12
0.227
PAU-UNI-52c0427f-1
0.226
RAL-THA-2d450e86-40
0.226
DAR-DIA-fb20be43-4
0.226
BRU-LEF-ae0885ba-1
0.226
MAK-UNK-ed378e62-9
0.226
DAR-DIA-842b4336-15
0.225
AAR-RCN-37d0aa00-1
0.224
MAK-UNK-ed378e62-8
0.224
AAR-RCN-9c8a34f0-1
0.224
MAK-UNK-ed378e62-6
0.224
MED-COV-4280ac29-35
0.224
MAT-POS-c20a539d-5
0.222
MAT-POS-cc05818f-1
0.222
PET-UNK-6314f867-2
0.222
RAL-THA-2d450e86-28
0.222
RAL-THA-2d450e86-17
0.222
PET-UNK-dd44aeb6-3
0.222
VIK-SYN-9a3d118a-8
0.222
DAV-CRI-d1e0885a-3
0.221
JIN-POS-6dc588a4-24
0.221
YOI-UNK-97f54f0c-1
0.221
YOI-UNK-4c10088f-1
0.221
MAK-UNK-ed378e62-29
0.221
MAK-UNK-ed378e62-34
0.221
MAK-UNK-ed378e62-3
0.220
NAU-LAT-a5c7d7cb-8
0.220
MAR-TRE-a3327163-95
0.220
MAK-UNK-9955b1f3-11
0.219
MAK-UNK-ed378e62-21
0.219
DAR-DIA-6a49afbe-8
0.218
BEN-DND-61647d40-5
0.218