Molecular Properties | |
SMILES: | CCC1OCCN1C(=O)CCl |
MW: | 177.06 |
Fraction sp3: | 0.86 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 29.54 |
cLogP: | 0.82 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | BBV-39746248 |
LON-WEI-8f408cad-3
MAK-UNK-95198336-5
0.341
SAD-SAT-d8079f6f-1
0.340
MAK-UNK-95198336-3
0.325
MAK-UNK-f983951f-27
0.320
MAK-UNK-3f402c2b-29
0.320
MAK-UNK-704ed37c-16
0.314
SAD-SAT-65574d3f-5
0.314
AAR-POS-0daf6b7e-21
0.311
MAK-UNK-f983951f-21
0.304
MAK-UNK-4b073b5c-16
0.302
ASH-UNK-e28bb067-9
0.300
SAD-SAT-d8079f6f-4
0.298
SAD-SAT-6b5a89f0-2
0.298
MAK-UNK-4b073b5c-19
0.298
SAD-SAT-1b030f84-9
0.293
SAD-SAT-d8079f6f-3
0.289
SAD-SAT-d8079f6f-5
0.289
MAK-UNK-987948f6-5
0.286
MAK-UNK-95198336-7
0.286
SAD-SAT-d8079f6f-6
0.283
AAR-POS-d2a4d1df-33
0.281
MAR-TRE-6a44bbf2-39
0.281
MAK-UNK-6c8f5f75-1
0.280
MAK-UNK-ec98eaf6-31
0.277
JOK-SYG-8934678c-1
0.275
MAK-UNK-987948f6-4
0.275
MAK-UNK-95198336-8
0.273
MAK-UNK-4b073b5c-21
0.271
DAN-PUR-3907f623-1
0.267
MAK-UNK-4b073b5c-18
0.265
VIK-SYN-bf9c9ac8-2
0.264
MAK-UNK-f983951f-12
0.263
MAK-UNK-95198336-11
0.261
ASH-UNK-e28bb067-5
0.260
SAD-SAT-6b5a89f0-6
0.260
MAK-UNK-750cfbcc-2
0.259
SAD-SAT-6b5a89f0-4
0.259
VIK-SYN-9a3d118a-1
0.259
WAR-XCH-b0339bbe-18
0.259
MAK-UNK-3e0761f8-7
0.258
MAK-UNK-ec98eaf6-29
0.258
JOH-UNI-27ac80fd-33
0.258
NIM-UNI-43fe0159-7
0.258
NIM-UNI-43fe0159-9
0.258
MAK-UNK-95198336-6
0.256
MAK-UNK-95198336-4
0.256
MAK-UNK-95198336-10
0.255
MAK-UNK-704ed37c-12
0.255
MAK-UNK-750cfbcc-1
0.255
MAK-UNK-704ed37c-15
0.255
MAK-UNK-704ed37c-17
0.255
LON-WEI-120e5cf5-8
0.250
NIM-UNI-43fe0159-11
0.250
MAK-UNK-704ed37c-11
0.250
SAD-SAT-65574d3f-6
0.250
MAK-UNK-3f402c2b-4
0.250
SAD-SAT-5b1897b2-9
0.250
FOC-CAS-e3a94da8-1
0.250
MAK-UNK-704ed37c-5
0.250
MAK-UNK-704ed37c-3
0.250
SAD-SAT-bc31ec01-2
0.250
FOC-CAS-e3a94da8-2
0.247
NIM-UNI-43fe0159-8
0.246
JOH-UNI-27ac80fd-29
0.246
MAK-UNK-704ed37c-2
0.246
YOI-UNK-15f562e8-5
0.246
MAK-UNK-4b073b5c-15
0.245
MAK-UNK-4b073b5c-17
0.245
NIM-UNI-43fe0159-10
0.243
MAK-UNK-df1a028e-7
0.243
MAK-UNK-6ca90168-11
0.242
SAD-SAT-1b030f84-4
0.242
AAR-POS-0daf6b7e-2
0.242
YOI-UNK-15f562e8-4
0.241
SAD-SAT-edc8a235-7
0.241
MAK-UNK-704ed37c-14
0.241
VIK-SYN-bf9c9ac8-1
0.241
MAK-UNK-4b073b5c-22
0.240
MAK-UNK-95198336-9
0.240
NIM-UNI-43fe0159-12
0.239
MAR-TRE-6a44bbf2-82
0.239
MAK-UNK-ec98eaf6-30
0.239
NIM-UNI-43fe0159-3
0.238
JOH-UNI-27ac80fd-4
0.238
MAK-UNK-704ed37c-9
0.238
DRR-IMP-db50bf6e-3
0.237
DRR-IMP-11d47bff-1
0.237
VIR-GIT-7b3d3065-3
0.237
AAR-POS-0daf6b7e-19
0.237
MAK-UNK-af83ef51-7
0.237
SAD-SAT-6b5a89f0-5
0.236
MAK-UNK-df1a028e-5
0.236
MAK-UNK-3f402c2b-16
0.235
MAK-UNK-6ca90168-16
0.235
MAK-UNK-6c8f5f75-6
0.235
YOI-UNK-15f562e8-2
0.234
NIM-UNI-43fe0159-5
0.234
MAK-UNK-3f402c2b-28
0.234
NIM-UNI-43fe0159-1
0.234
SEA-TRI-8252c13b-1
0.234