Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(C)(=O)=O)CC1c1ccccc1 |
MW: | 294.376 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.0175 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-547-899 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
Hetero_hetero
PEI-IMP-3d837503-2
0.364
DUN-NEW-f8ce3686-22
0.356
MAK-UNK-df1a028e-7
0.342
DAN-LON-a5fc619e-5
0.298
MAK-UNK-10dfa458-9
0.293
JAN-GHE-4287bd1a-1
0.293
BEN-DND-03ad4429-7
0.292
MAK-UNK-10dfa458-4
0.292
DAV-IMP-59dd6621-25
0.290
SAD-SAT-1f400d17-9
0.287
MAK-UNK-10dfa458-5
0.284
BEN-DND-03ad4429-3
0.284
JAG-SYN-9c2cd0bd-3
0.284
PEI-IMP-3d837503-3
0.284
AHN-SAT-02ef6d10-1
0.277
SCO-VAN-260d9628-2
0.276
SAD-SAT-1f400d17-1
0.275
JAG-SYN-9c2cd0bd-1
0.274
PEI-IMP-e4a008a2-1
0.273
MAK-UNK-6ca90168-12
0.271
SAD-SAT-b55127ae-5
0.270
AHN-SAT-02ef6d10-7
0.270
PET-SGC-2aaf6909-1
0.265
JOE-SYG-2c9a1216-1
0.264
MAR-TRE-6a44bbf2-21
0.264
MAK-UNK-7c9d1431-9
0.264
PEI-IMP-3d837503-4
0.264
MAK-UNK-7c9d1431-27
0.263
GIA-UNK-595fac82-4
0.263
GIA-UNK-5ec6c2b8-4
0.261
TAT-ENA-80bfd3e5-45
0.261
MAT-POS-fa06b69f-7
0.261
MAK-UNK-10dfa458-18
0.260
MAK-UNK-10dfa458-11
0.259
NAU-LAT-64f4b287-4
0.259
DAV-IMP-59dd6621-14
0.253
LUI-IND-a1be81af-1
0.253
ABI-SAT-ddc50085-1
0.253
BEN-DND-03ad4429-8
0.250
WIL-LEE-23e8b574-1
0.250
SAL-INS-1c7a5a55-11
0.250
PEI-IMP-3d837503-1
0.247
MAK-UNK-3e0761f8-8
0.247
MAR-TRE-be9ff7d2-42
0.247
ANT-OPE-c0c3e7cc-1
0.247
GIA-UNK-eaadd1d4-2
0.247
AHN-SAT-02ef6d10-3
0.247
SAD-SAT-3a925b8b-10
0.247
BEN-DND-03ad4429-4
0.244
AHN-SAT-02ef6d10-4
0.244
ANT-OPE-7824651a-2
0.244
SAD-SAT-f0a2747f-10
0.244
MAK-UNK-10dfa458-6
0.243
DRV-UNK-64047f27-2
0.242
DRV-UNK-dd7f8c68-2
0.242
SAD-SAT-2ceae68f-4
0.242
MIH-UNI-e573136b-15
0.242
DAV-IMP-59dd6621-2
0.242
MAK-UNK-90d0606b-3
0.241
UNK-CYC-68f84b31-2
0.241
AHN-SAT-02ef6d10-5
0.241
DAV-IMP-59dd6621-26
0.241
JUA-UNI-a9dfaed1-3
0.240
TAT-ENA-80bfd3e5-14
0.239
MAK-UNK-10dfa458-12
0.239
NAU-LAT-28398581-5
0.237
MAK-UNK-7c9d1431-23
0.237
DAV-IMP-59dd6621-23
0.237
MAR-TRE-6a44bbf2-28
0.237
DAV-IMP-59dd6621-28
0.237
MAK-UNK-6ca90168-21
0.236
JOH-UNI-27ac80fd-26
0.236
MAK-UNK-ec98eaf6-12
0.236
REN-UFA-aaaed2d6-1
0.236
MAK-UNK-10dfa458-8
0.235
SAD-SAT-2fd372d1-2
0.234
DAV-IMP-59dd6621-8
0.234
SAD-SAT-2fd372d1-8
0.233
JOO-IND-b13e14cc-1
0.233
COM-UCB-1ef4e90e-11
0.232
SEL-UNI-cd366922-2
0.232
MAK-UNK-5d2caa6f-20
0.232
SAD-SAT-2ceae68f-7
0.231
TOB-UNK-c2aba166-4
0.231
JUA-UNI-a9dfaed1-2
0.231
ANT-OPE-6a16a9ad-1
0.230
NAU-LAT-3f5f3993-5
0.229
BEN-DND-6de5dfa0-3
0.229
BEN-DND-09b88bf4-3
0.229
ANT-OPE-3756b28b-1
0.229
MAK-UNK-ec98eaf6-48
0.228
MAK-UNK-10dfa458-10
0.228
MAR-TRE-74c6519b-51
0.227
LON-WEI-adc59df6-71
0.227
LON-WEI-adc59df6-62
0.227
LON-WEI-adc59df6-63
0.227
SAD-SAT-1f400d17-2
0.227
DAV-IMP-59dd6621-9
0.227
MAC-MCD-4707377b-1
0.226
DAV-IMP-59dd6621-27
0.226