Molecular Properties | |
SMILES: | N#CC1CN(C(=O)CCl)C1O |
MW: | 174.02 |
Fraction sp3: | 0.67 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 64.33 |
cLogP: | -0.47 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-95198336-9
0.405
MAK-UNK-95198336-10
0.386
SAD-SAT-edc8a235-7
0.362
MAK-UNK-6ca90168-18
0.356
MAK-UNK-6c8f5f75-1
0.356
SAD-SAT-6b5a89f0-4
0.354
MAK-UNK-6c8f5f75-3
0.354
SAD-SAT-6b5a89f0-5
0.354
MAK-UNK-3f402c2b-29
0.340
SAD-SAT-d8079f6f-1
0.333
MAK-UNK-6c8f5f75-2
0.333
SAD-SAT-6b5a89f0-3
0.327
MAK-UNK-6c8f5f75-4
0.327
MAK-UNK-6ca90168-17
0.326
MAK-UNK-6c8f5f75-5
0.320
MAK-UNK-987948f6-9
0.317
SAD-SAT-1b030f84-9
0.316
MAK-UNK-95198336-11
0.310
MAK-UNK-95198336-7
0.308
AAR-POS-0daf6b7e-21
0.302
SAD-SAT-d8079f6f-2
0.300
DRR-IMP-38dce17f-7
0.298
MAK-UNK-6ca90168-14
0.298
MAK-UNK-987948f6-8
0.294
MAK-UNK-9b4e5ff2-4
0.294
SAD-SAT-5b1897b2-9
0.292
MAK-UNK-987948f6-4
0.292
MAK-UNK-4b073b5c-15
0.289
MAK-UNK-f983951f-27
0.286
MAK-UNK-95198336-3
0.282
DAN-PUR-3907f623-1
0.281
NIR-THE-0d6461ce-7
0.278
MAK-UNK-f983951f-12
0.278
MAK-UNK-987948f6-5
0.277
MAK-UNK-987948f6-3
0.276
MAK-UNK-95198336-4
0.275
MAK-UNK-95198336-6
0.275
ABI-SAT-96764fe8-1
0.273
MAK-UNK-3f402c2b-13
0.271
MAK-UNK-ec98eaf6-29
0.271
MAR-TRE-6a44bbf2-29
0.270
MAK-UNK-72659d64-3
0.269
MAK-UNK-95198336-5
0.268
MAK-UNK-704ed37c-11
0.267
SAD-SAT-89668ff1-8
0.267
MAK-UNK-ec98eaf6-16
0.267
MAK-UNK-ec98eaf6-22
0.267
SAD-SAT-65574d3f-6
0.264
MAK-UNK-6ca90168-9
0.262
MAK-UNK-95198336-8
0.262
MAK-UNK-4b073b5c-16
0.262
AAR-POS-d2a4d1df-37
0.262
MAR-TRE-6a44bbf2-7
0.262
MAK-UNK-4b073b5c-21
0.261
SAD-SAT-d8079f6f-4
0.261
MAK-UNK-4b073b5c-17
0.261
SAD-SAT-6b5a89f0-2
0.261
TOB-UNK-c2aba166-1
0.260
MAK-UNK-ec98eaf6-37
0.260
MAK-UNK-ec98eaf6-10
0.260
DRR-IMP-dff87f5e-9
0.258
TAT-ENA-80bfd3e5-10
0.257
DAR-DIA-fb20be43-4
0.257
PAU-UNI-52c0427f-1
0.257
BRU-LEF-ae0885ba-1
0.257
ABI-UNK-6fa18b51-1
0.256
SAD-SAT-65574d3f-5
0.255
MAK-UNK-3f402c2b-27
0.254
VIK-SYN-9a3d118a-8
0.254
TAM-UNI-d1c3dd9f-18
0.254
SAD-SAT-89668ff1-4
0.254
SWA-SYN-d2e6fa14-7
0.250
SAD-SAT-6b5a89f0-7
0.250
MAK-UNK-3f402c2b-15
0.250
VIK-SYN-9a3d118a-1
0.250
PEI-IMP-e4a008a2-1
0.250
MAK-UNK-6ca90168-6
0.250
MAK-UNK-3f402c2b-10
0.250
MAK-UNK-ec98eaf6-30
0.250
SAD-SAT-d8079f6f-3
0.250
SAD-SAT-d8079f6f-5
0.250
SWA-SYN-6423ea73-7
0.250
WAR-XCH-b0339bbe-18
0.250
MAK-UNK-6ca90168-16
0.250
MAK-UNK-10799360-22
0.247
SAD-SAT-f2e2579e-4
0.247
MAK-UNK-ec98eaf6-3
0.247
MAK-UNK-3f402c2b-2
0.246
MAK-UNK-10dfa458-39
0.246
MAT-POS-ee51dedd-1
0.246
MAK-UNK-3f402c2b-5
0.246
DAV-CRI-d1e0885a-1
0.246
MAK-UNK-3f402c2b-28
0.246
MAR-TRE-6a44bbf2-92
0.246
DRR-IMP-38dce17f-6
0.246
MAR-TRE-6a44bbf2-79
0.245
MAK-UNK-704ed37c-17
0.245
MAK-UNK-750cfbcc-3
0.245
MAK-UNK-750cfbcc-1
0.245
MAK-UNK-704ed37c-12
0.245