Molecular Properties | |
SMILES: | C=CC(=O)N1CCCc2cc(C(N)=O)ccc21 |
MW: | 230.267 |
Fraction sp3: | 0.23 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 63.4 |
cLogP: | 1.2507 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-7525393 |
Mcule: | MCULE-9067486618 |
MolPort: | MolPort-044-604-637 |
AAR-POS-d2a4d1df-1
DAV-IMP-59dd6621-9
0.784
DAV-IMP-59dd6621-22
0.667
DAV-IMP-59dd6621-29
0.588
DAV-IMP-59dd6621-27
0.548
MAT-POS-b5746674-112
0.304
MAR-TRE-6a44bbf2-46
0.295
DAV-IMP-59dd6621-25
0.294
DAV-IMP-59dd6621-28
0.292
MAR-TRE-6a44bbf2-22
0.284
MAK-UNK-7c9d1431-26
0.284
MAK-UNK-10dfa458-3
0.276
DAV-IMP-59dd6621-26
0.276
DAV-IMP-59dd6621-14
0.274
MIC-IOC-304754b1-2
0.270
DAV-IMP-59dd6621-24
0.269
MAK-UNK-7a704a63-8
0.257
MAK-UNK-c8c8f7e2-15
0.257
SAD-SAT-5b1897b2-7
0.253
MAR-TRE-6a44bbf2-33
0.253
NAU-LAT-42d4957e-3
0.250
MAT-POS-ee51dedd-3
0.250
MED-COV-4280ac29-14
0.247
AHN-SAT-02ef6d10-5
0.244
SAD-SAT-6b5a89f0-9
0.241
MAK-UNK-c8c8f7e2-30
0.240
DAV-IMP-59dd6621-23
0.240
TAM-UNI-c140e31a-12
0.237
AHN-SAT-02ef6d10-3
0.233
DRV-UNK-64047f27-2
0.232
DRV-UNK-dd7f8c68-2
0.232
MAK-UNK-10dfa458-22
0.228
MAK-UNK-7a704a63-9
0.228
OLE-CAR-5b17bec5-6
0.227
MAK-UNK-6435e6c2-4
0.227
PET-SGC-6a1b02a9-1
0.226
TAM-UNI-c140e31a-18
0.225
SAD-SAT-1f400d17-10
0.225
SAD-SAT-b55127ae-5
0.224
JOH-UNI-e19b918c-13
0.224
AHN-SAT-de2502ba-11
0.224
DAR-DIA-5a24bef0-8
0.222
JOH-UNI-27ac80fd-26
0.222
MAK-UNK-6ca90168-12
0.222
SAD-SAT-1f400d17-6
0.222
AHN-SAT-02ef6d10-1
0.221
JAG-SYN-9c2cd0bd-3
0.221
MAK-UNK-1e8f9e3c-5
0.220
PEI-IMP-3d837503-2
0.219
TAM-UNI-c140e31a-4
0.218
DAR-DIA-5a24bef0-16
0.217
JOH-UNI-e19b918c-5
0.217
DAR-DIA-5a24bef0-17
0.217
DAR-DIA-5a24bef0-15
0.217
DAR-DIA-5a24bef0-14
0.217
SAD-SAT-b55127ae-9
0.217
ALP-POS-cd485364-2
0.217
AHN-SAT-02ef6d10-4
0.217
SAD-SAT-f0a2747f-6
0.217
MAK-UNK-9159f8ed-2
0.216
SAD-SAT-3a925b8b-10
0.216
AAR-POS-0daf6b7e-41
0.216
DAR-DIA-5a24bef0-3
0.216
MAK-UNK-c8c8f7e2-16
0.215
MAK-UNK-10dfa458-10
0.215
TAT-ENA-80bfd3e5-38
0.213
LON-WEI-8f408cad-1
0.212
MAK-UNK-7a704a63-10
0.212
AAR-POS-0daf6b7e-11
0.212
MAR-TRE-0fda4e82-4
0.211
DAR-DIA-5a24bef0-7
0.210
DAR-DIA-5a24bef0-10
0.210
BEN-BAS-c3742787-1
0.209
TAM-UNI-c140e31a-6
0.208
TAM-UNI-c140e31a-14
0.208
SAD-SAT-1f400d17-1
0.208
DAR-DIA-5a24bef0-9
0.208
DAR-DIA-5a24bef0-6
0.208
JOO-IND-6372a4f3-1
0.207
MAK-UNK-c8c8f7e2-17
0.207
PET-SGC-481b48b7-1
0.207
JOO-IND-b13e14cc-1
0.207
MAK-UNK-10dfa458-13
0.206
MAK-UNK-6ca90168-21
0.205
MAK-UNK-10dfa458-5
0.205
MAK-UNK-6ca90168-13
0.205
MAK-UNK-7a704a63-16
0.205
BEN-DND-03ad4429-3
0.205
MAK-UNK-c8c8f7e2-3
0.205
MAK-UNK-c8c8f7e2-39
0.205
AHN-SAT-02ef6d10-10
0.205
AMI-CSI-2ea5bed6-3
0.205
MAK-UNK-c8c8f7e2-18
0.205
DAR-DIA-5a24bef0-4
0.204
MAR-TRE-1c920f6f-89
0.203
ANT-OPE-d972fbad-1
0.203
ANT-OPE-c0c3e7cc-1
0.203
MAK-UNK-0b1cbb06-3
0.203
MED-COV-4280ac29-32
0.202
STU-CHA-83dacf15-2
0.202
DAR-DIA-5a24bef0-5
0.202