Molecular Properties | |
SMILES: | C=CC(=O)N1CCOC(c2cccs2)C1 |
MW: | 223.07 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 29.54 |
cLogP: | 1.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine SCR: | Z3488504362 |
Enamine REAL: | Z3488504362 |
AAR-POS-0daf6b7e-1
SAD-SAT-2ceae68f-10
0.367
MAK-UNK-10dfa458-2
0.358
MAK-UNK-6ca90168-21
0.354
MAK-UNK-10dfa458-4
0.333
BEN-DND-03ad4429-7
0.333
BEN-VAN-77cef4f8-4
0.333
BEN-VAN-77cef4f8-6
0.333
BEN-VAN-77cef4f8-5
0.330
BEN-VAN-77cef4f8-10
0.324
BEN-VAN-77cef4f8-11
0.324
BEN-VAN-77cef4f8-12
0.320
TRY-UNI-9f475305-9
0.317
MAK-UNK-212f693e-24
0.300
MAR-TRE-6a44bbf2-39
0.297
AAR-POS-d2a4d1df-33
0.297
JOO-IND-b13e14cc-1
0.296
AHN-SAT-02ef6d10-4
0.295
MED-COV-4280ac29-32
0.295
JOK-SYG-8934678c-1
0.291
IND-SYN-6c8299e8-12
0.289
SAD-SAT-1f400d17-3
0.289
SAD-SAT-6b5a89f0-9
0.288
AHN-SAT-02ef6d10-9
0.282
MAK-UNK-10dfa458-9
0.280
JOH-UNI-27ac80fd-34
0.280
ANT-OPE-3756b28b-1
0.278
AHN-SAT-02ef6d10-6
0.278
MAK-UNK-6ca90168-12
0.275
JOH-UNI-27ac80fd-26
0.275
SAD-SAT-1f400d17-8
0.273
SAD-SAT-c989feaa-6
0.271
SAD-SAT-c989feaa-7
0.271
JAG-SYN-9c2cd0bd-3
0.270
MAK-UNK-10dfa458-1
0.268
DAN-LON-a5fc619e-9
0.267
MAR-TRE-dab8f6ea-28
0.267
NAU-LAT-64f4b287-2
0.264
MAK-UNK-10dfa458-18
0.264
MAK-UNK-10dfa458-10
0.263
MAK-UNK-6435e6c2-2
0.261
SAD-SAT-1f400d17-1
0.261
NIM-UNI-13494739-9
0.260
SAD-SAT-edc8a235-6
0.259
MAR-TRE-dab8f6ea-49
0.258
DAV-IMP-59dd6621-23
0.257
SAD-SAT-b55127ae-10
0.257
SAD-SAT-2fd372d1-1
0.257
MAR-TRE-dab8f6ea-15
0.256
AAR-POS-0daf6b7e-16
0.254
PEI-IMP-3d837503-2
0.254
JOO-IND-6372a4f3-4
0.253
BEN-DND-03ad4429-8
0.253
NIM-UNI-13494739-6
0.253
AHN-SAT-02ef6d10-1
0.250
AHN-SAT-02ef6d10-3
0.250
ANT-OPE-c0c3e7cc-1
0.250
ANT-OPE-e67e7ba0-1
0.250
NAU-LAT-64f4b287-1
0.247
SAD-SAT-b55127ae-7
0.247
SAD-SAT-b55127ae-1
0.247
LON-WEI-8f408cad-5
0.247
AAR-POS-0daf6b7e-17
0.247
MED-COV-4280ac29-14
0.247
UNK-UNK-2ede4078-67
0.244
JOH-UNI-27ac80fd-10
0.244
NAU-LAT-f723e322-4
0.244
MAK-UNK-6ca90168-2
0.244
JAG-SYN-9c2cd0bd-1
0.243
MAK-UNK-10dfa458-21
0.243
MAK-UNK-6ca90168-16
0.242
MAK-UNK-10dfa458-12
0.241
SAD-SAT-2ceae68f-8
0.241
SAD-SAT-1f400d17-10
0.241
SAD-SAT-b55127ae-4
0.240
MAK-UNK-212f693e-29
0.240
MAK-UNK-6435e6c2-1
0.239
SAD-SAT-1f400d17-6
0.239
JAR-KUA-672ec752-1
0.239
MAK-UNK-10dfa458-7
0.239
MAK-UNK-6ca90168-13
0.237
MAK-UNK-10dfa458-5
0.237
AHN-SAT-02ef6d10-10
0.237
BEN-DND-03ad4429-3
0.237
ANT-OPE-d972fbad-1
0.236
JOH-UNI-e19b918c-5
0.235
MAT-POS-4e253971-2
0.235
MAK-UNK-987948f6-15
0.234
MAK-UNK-3f402c2b-25
0.234
SAD-SAT-1f400d17-9
0.233
SAD-SAT-1f400d17-4
0.233
WAR-XCH-72a8c209-10
0.233
WAR-XCH-72a8c209-9
0.233
SAD-SAT-f0a2747f-6
0.232
STU-CHA-128b80be-2
0.232
BEN-VAN-77cef4f8-3
0.231
SAD-SAT-2ceae68f-4
0.231
JOH-MR_-42fa5481-7
0.231
JOH-UNI-27ac80fd-11
0.229
SAD-SAT-b55127ae-6
0.228
JAN-GHE-6413aaf8-10
0.228