Molecular Properties | |
SMILES: | CC1CN(C(=O)CCl)C(C)O1 |
MW: | 177.06 |
Fraction sp3: | 0.86 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 29.54 |
cLogP: | 0.82 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | BBV-39739939 |
LON-WEI-8f408cad-3
MAK-UNK-3f402c2b-29
0.356
MAK-UNK-f983951f-27
0.356
SAD-SAT-d8079f6f-2
0.340
ASH-UNK-e28bb067-9
0.333
SAD-SAT-d8079f6f-4
0.333
SAD-SAT-1b030f84-9
0.333
MAK-UNK-95198336-7
0.324
AAR-POS-0daf6b7e-21
0.317
MAK-UNK-95198336-5
0.316
MAK-UNK-95198336-10
0.311
MAK-UNK-95198336-8
0.308
JOH-UNI-27ac80fd-29
0.306
SAD-SAT-5b1897b2-9
0.304
MAK-UNK-4b073b5c-21
0.302
MAK-UNK-95198336-3
0.297
MAK-UNK-95198336-9
0.295
MAK-UNK-95198336-4
0.289
MAK-UNK-95198336-6
0.289
MAK-UNK-987948f6-5
0.289
MAK-UNK-f983951f-12
0.288
SAD-SAT-6b5a89f0-4
0.286
VIK-SYN-9a3d118a-1
0.286
MAK-UNK-704ed37c-12
0.283
MAR-TRE-6a44bbf2-66
0.281
MAK-UNK-750cfbcc-4
0.281
MAK-UNK-ec98eaf6-29
0.281
MAK-UNK-704ed37c-11
0.279
MAK-UNK-f983951f-21
0.279
MAK-UNK-3f402c2b-10
0.279
MAK-UNK-987948f6-4
0.277
MAK-UNK-3f402c2b-28
0.276
MAK-UNK-4b073b5c-16
0.275
MAK-UNK-4b073b5c-15
0.273
MAK-UNK-4b073b5c-19
0.273
SAD-SAT-6b5a89f0-2
0.273
MAK-UNK-3f402c2b-7
0.271
MAK-UNK-3f402c2b-4
0.271
DAN-PUR-3907f623-1
0.268
MAK-UNK-4b073b5c-18
0.267
MAK-UNK-4b073b5c-22
0.267
MED-COV-4280ac29-13
0.266
VIK-SYN-bf9c9ac8-2
0.265
VIK-SYN-bf9c9ac8-1
0.265
SAD-SAT-edc8a235-7
0.265
MAK-UNK-704ed37c-16
0.265
SAD-SAT-65574d3f-5
0.265
YOI-UNK-15f562e8-4
0.265
CHR-MCD-2f2b3cc8-1
0.264
MAK-UNK-3f402c2b-27
0.262
MAK-UNK-95198336-11
0.262
SAD-SAT-d8079f6f-3
0.262
SAD-SAT-d8079f6f-5
0.262
MAK-UNK-df1a028e-7
0.262
SAD-SAT-581007d4-9
0.262
SAD-SAT-6b5a89f0-6
0.261
MAK-UNK-6ca90168-16
0.261
ASH-UNK-e28bb067-5
0.261
SAD-SAT-6b5a89f0-5
0.260
MAK-UNK-750cfbcc-2
0.260
MAK-UNK-6c8f5f75-3
0.260
DAN-PUR-3907f623-2
0.259
MAK-UNK-ec98eaf6-31
0.258
SAD-SAT-d8079f6f-6
0.256
MAK-UNK-6ca90168-17
0.255
MAK-UNK-750cfbcc-1
0.255
MAK-UNK-6c8f5f75-1
0.255
MAK-UNK-6ca90168-18
0.255
MAK-UNK-704ed37c-15
0.255
MAK-UNK-3f402c2b-16
0.254
MAK-UNK-3f402c2b-26
0.254
MAK-UNK-3f402c2b-5
0.254
MAR-TRE-6a44bbf2-62
0.250
MAK-UNK-3f402c2b-21
0.250
MAK-UNK-704ed37c-10
0.250
SAD-SAT-bc31ec01-2
0.250
SAD-SAT-65574d3f-6
0.250
MAK-UNK-3f402c2b-20
0.250
SAD-SAT-1b030f84-8
0.250
ASH-UNK-e28bb067-8
0.250
MAK-UNK-3f402c2b-3
0.246
MAK-UNK-3e0761f8-8
0.246
MAK-UNK-987948f6-9
0.246
MAK-UNK-3f402c2b-24
0.246
YOI-UNK-a533afbc-5
0.246
YOI-UNK-12211982-5
0.246
JOH-UNI-27ac80fd-28
0.246
MAK-UNK-df1a028e-8
0.246
MAK-UNK-3f402c2b-25
0.246
MAK-UNK-6c8f5f75-2
0.245
JOH-UNI-e19b918c-10
0.245
MAK-UNK-4b073b5c-17
0.244
MAK-UNK-ec98eaf6-14
0.243
JOH-UNI-27ac80fd-8
0.242
MAK-UNK-ec98eaf6-43
0.242
MAK-UNK-df1a028e-9
0.242
SAD-SAT-1b030f84-4
0.241
MAK-UNK-704ed37c-14
0.240
MAK-UNK-704ed37c-13
0.240
MAK-UNK-90d0606b-3
0.239
MAK-UNK-ec98eaf6-18
0.239