Molecular Properties | |
SMILES: | N#CC1C=CN(C(=O)CCl)C1 |
MW: | 170.02 |
Fraction sp3: | 0.43 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 44.1 |
cLogP: | 0.72 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-33
MAK-UNK-95198336-9
0.378
MAK-UNK-95198336-10
0.362
MAK-UNK-6c8f5f75-4
0.360
MAK-UNK-4b073b5c-15
0.356
ASH-UNK-e28bb067-9
0.354
MAK-UNK-6c8f5f75-5
0.353
SAD-SAT-edc8a235-7
0.340
MAK-UNK-6c8f5f75-2
0.340
MAK-UNK-6c8f5f75-1
0.333
SAD-SAT-6b5a89f0-5
0.333
SAD-SAT-6b5a89f0-4
0.333
SAD-SAT-edc8a235-8
0.327
MAK-UNK-4b073b5c-22
0.319
MAK-UNK-4b073b5c-20
0.319
MAK-UNK-95198336-3
0.293
ASH-UNK-e28bb067-5
0.286
MAK-UNK-6ca90168-14
0.283
DRR-IMP-38dce17f-7
0.283
MAK-UNK-6ca90168-17
0.280
MAK-UNK-6ca90168-18
0.280
MAK-UNK-4b073b5c-21
0.271
MAK-UNK-6ca90168-22
0.269
MAK-UNK-987948f6-9
0.265
SAD-SAT-1b030f84-9
0.262
SAD-SAT-89668ff1-4
0.260
SAD-SAT-d8079f6f-1
0.260
MAK-UNK-4b073b5c-14
0.260
MAK-UNK-6c8f5f75-6
0.260
SAD-SAT-6b5a89f0-3
0.259
MAK-UNK-95198336-6
0.256
MAK-UNK-95198336-4
0.256
MAK-UNK-95198336-7
0.256
MAR-TRE-6a44bbf2-92
0.254
MAK-UNK-10dfa458-39
0.254
SAD-SAT-5b1897b2-9
0.250
KAT-UNK-48001bce-1
0.250
KAT-MCD-525c981a-1
0.250
MAK-UNK-95198336-5
0.250
ABI-SAT-96764fe8-1
0.247
ABI-UNK-6fa18b51-1
0.247
BRU-LEF-ae0885ba-1
0.247
PAU-UNI-52c0427f-1
0.247
DAR-DIA-fb20be43-4
0.247
PAT-MCD-fb0933e5-1
0.246
MAK-UNK-3f402c2b-29
0.245
SAD-SAT-6b5a89f0-2
0.245
MAK-UNK-4b073b5c-17
0.245
SAD-SAT-d8079f6f-4
0.245
MAK-UNK-4b073b5c-16
0.244
MAK-UNK-95198336-8
0.244
SAD-SAT-89668ff1-1
0.243
MAK-UNK-6ca90168-7
0.243
VIK-SYN-9a3d118a-8
0.243
MAK-UNK-987948f6-3
0.242
SAD-SAT-1b030f84-4
0.242
DRR-IMP-38dce17f-3
0.241
MAK-UNK-7c9d1431-24
0.241
MAK-UNK-704ed37c-16
0.241
SEL-UNI-49ab05bd-2
0.239
MAK-UNK-7c9d1431-29
0.237
MAK-UNK-849bee6c-7
0.237
SAD-SAT-6b5a89f0-7
0.236
MAK-UNK-750cfbcc-2
0.236
DAV-CRI-d1e0885a-1
0.235
AAR-POS-0daf6b7e-14
0.235
MAT-POS-ee51dedd-1
0.235
GIA-UNK-c4371e97-2
0.234
MAK-UNK-7c9d1431-23
0.234
MAR-TRE-6a44bbf2-28
0.234
YOI-UNK-15f562e8-2
0.234
SAD-SAT-d8079f6f-3
0.234
MAK-UNK-95198336-11
0.234
SAD-SAT-d8079f6f-5
0.234
NIR-THE-0d6461ce-6
0.234
NIR-THE-0d6461ce-7
0.234
MAK-UNK-52a1ef4b-3
0.233
MAK-UNK-52a1ef4b-2
0.233
TAM-UNI-d1c3dd9f-16
0.233
MAK-UNK-10dfa458-41
0.233
MAK-UNK-704ed37c-15
0.232
MAK-UNK-704ed37c-17
0.232
MAR-TRE-6a44bbf2-79
0.232
MAK-UNK-750cfbcc-3
0.232
MAK-UNK-750cfbcc-1
0.231
MAK-UNK-6ca90168-9
0.231
MAK-UNK-3f402c2b-4
0.231
MAK-UNK-3f402c2b-7
0.231
MAK-UNK-3f402c2b-20
0.231
MAK-UNK-987948f6-8
0.230
TAT-ENA-80bfd3e5-10
0.230
YOI-UNK-4c10088f-2
0.230
AAR-POS-0daf6b7e-21
0.229
SAD-SAT-d8079f6f-6
0.229
AAA-OOO-6ef70637-1
0.229
BEN-DND-76ad4ac9-9
0.229
BEN-DND-03406596-1
0.229
MAK-UNK-6ca90168-8
0.229
SAD-SAT-bc31ec01-7
0.229
SAD-SAT-65574d3f-6
0.228
MAR-TRE-6a44bbf2-77
0.227