Molecular Properties | |
SMILES: | C=CC(=O)NCC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 |
MW: | 338.407 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 69.64 |
cLogP: | 2.051 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
AAR-POS-d2a4d1df-1
JUA-UNI-bc099708-1
0.671
JUA-UNI-a9dfaed1-4
0.494
JUA-UNI-a9dfaed1-5
0.344
JUA-UNI-b93289a4-4
0.337
MED-COV-4280ac29-22
0.337
JUA-UNI-a9dfaed1-1
0.319
NIM-UNI-bb9030bf-1
0.302
SAD-SAT-f0a2747f-3
0.300
JUA-UNI-bc099708-3
0.298
JUA-UNI-a9dfaed1-6
0.289
LON-WEI-af038623-2
0.282
NIM-NMI-8bb27a2b-10
0.279
DAV-IMP-59dd6621-7
0.271
LON-WEI-adc59df6-40
0.267
MAK-UNK-009ebe36-8
0.266
MAR-TRE-8190bb11-48
0.265
NIM-NMI-8bb27a2b-20
0.265
MAT-POS-b5746674-60
0.264
NEL-UNI-1464a899-4
0.263
NAU-LAT-64f4b287-9
0.256
WIL-UNI-5578df48-11
0.256
JUA-UNI-b93289a4-5
0.255
ALP-POS-b0bc6a46-2
0.255
ALP-POS-02c6a514-2
0.255
NIM-UNI-bb9030bf-13
0.253
BAR-COM-4e090d3a-47
0.250
SAD-SAT-1f400d17-1
0.250
JAN-GHE-76def03c-2
0.248
MIC-SGC-657978c3-3
0.247
WIL-UNI-5578df48-8
0.247
MAR-TRE-8190bb11-11
0.247
SRE-UNK-d6ec0668-1
0.247
SRE-UNK-f31cebfc-1
0.247
DAV-CRI-3edb475e-5
0.244
NIM-NMI-8bb27a2b-4
0.243
NIR-WEI-f9286bb6-3
0.242
AAR-UNI-c25c2f1e-100
0.241
VIJ-CYC-1a381570-10
0.241
WIL-UNI-5578df48-3
0.241
GIA-UNK-3f36037a-5
0.241
NIM-UNI-bb9030bf-12
0.240
MAR-TRE-66ac689e-34
0.239
MIC-SGC-657978c3-4
0.239
ERI-UCB-fbdd3ea1-14
0.239
ALP-POS-e980f4ea-64
0.239
NIM-UNI-bb9030bf-4
0.238
MAR-LAB-efb042c5-6
0.237
BRU-THA-92256091-7
0.236
NIM-NMI-8bb27a2b-12
0.236
LON-WEI-adc59df6-28
0.235
DAV-IMP-59dd6621-27
0.235
AUS-ARG-7cfdce8f-11
0.235
DAR-DIA-076fb6ea-2
0.234
MIC-SGC-657978c3-2
0.233
MAK-UNK-194150d3-7
0.233
NIM-UNI-bb9030bf-6
0.233
MAK-UNK-194150d3-3
0.233
ALP-POS-ced8ea4d-64
0.232
ERI-UCB-fbdd3ea1-24
0.232
MAT-POS-b5746674-62
0.232
MAK-UNK-6ca90168-12
0.231
NIM-UNI-bb9030bf-16
0.231
LON-WEI-af038623-9
0.231
MIC-SGC-657978c3-1
0.231
DAV-CRI-3edb475e-4
0.231
MAT-POS-b5746674-61
0.231
NIM-UNI-bb9030bf-8
0.230
MAK-UNK-f983951f-13
0.230
UNK-UNK-2ede4078-104
0.229
JOH-UNI-e19b918c-4
0.229
NIM-NMI-8bb27a2b-2
0.229
TRY-UNI-69298daf-1
0.229
ALP-POS-02c6a514-57
0.229
MIC-SGC-657978c3-5
0.228
ALE-UNK-fca05062-4
0.228
SAD-SAT-1f400d17-7
0.228
SAN-PRS-52b81272-2
0.228
JAN-GHE-d851b096-1
0.227
TRY-UNI-714a760b-2
0.226
JUA-UNI-b93289a4-6
0.226
JUA-UNI-a9dfaed1-2
0.226
ANT-OPE-c0c3e7cc-1
0.226
MAR-TRE-87acfbcc-31
0.226
NIM-UNI-bb9030bf-14
0.226
NIM-NMI-8bb27a2b-24
0.225
ANT-DIA-b7f58f21-4
0.225
BEN-DND-93268d01-1
0.225
BEN-DND-03406596-12
0.225
BEN-DND-03406596-11
0.225
BEN-DND-03406596-4
0.225
JUA-UNI-bc099708-4
0.224
MAK-UNK-10799360-2
0.224
BAR-COM-4e090d3a-55
0.224
MAK-UNK-10dfa458-9
0.224
NIM-UNI-bb9030bf-3
0.223
JUA-UNI-a9dfaed1-7
0.223
LON-WEI-babf2c61-10
0.223
NIR-WEI-f9286bb6-2
0.222
ERI-UCB-fbdd3ea1-34
0.221
ALP-POS-c0c213c9-14
0.221