Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc[nH]c(=O)c1 |
MW: | 288.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 80.42 |
cLogP: | 1.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1419041082 |
Enamine Extended REAL: | s_22____58494____7101316 |
MolPort: | MolPort-047-549-987 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
Aliphatic long chain
AAR-POS-d2a4d1df-1
PET-UNK-752bebd6-1
BEN-DND-b89db3f2-4
0.647
MAT-POS-8fd29122-1
0.636
PET-UNK-752bebd6-1
0.534
MAT-POS-916a2c5a-2
0.506
EDJ-MED-6af13d92-3
0.500
MAT-POS-35d3f55a-2
0.494
MAT-POS-590ac91e-32
0.482
EDJ-MED-6af13d92-1
0.482
EDJ-MED-6af13d92-2
0.482
MAT-POS-590ac91e-42
0.476
DAR-DIA-8e329c92-1
0.469
DAR-DIA-8e329c92-3
0.463
DAR-DIA-8e329c92-2
0.457
JOH-UNI-abfda500-3
0.457
MAT-POS-35d3f55a-1
0.446
MAR-UCB-f313ec4d-2
0.444
MAT-POS-91829f0d-1
0.444
ERI-UCB-ce40166b-25
0.442
EDJ-MED-bbe8e3da-4
0.402
EDJ-MED-bbe8e3da-2
0.387
EDJ-MED-bbe8e3da-1
0.364
KEI-TRE-fa9ada3e-3
0.354
MAR-UCB-f313ec4d-1
0.352
BEN-DND-7e92b6ca-2
0.352
ALP-POS-05819dc4-1
0.344
EDJ-MED-edeb0d3a-2
0.344
MAT-POS-3b536971-1
0.344
EDJ-MED-bbe8e3da-3
0.340
MAT-POS-590ac91e-37
0.337
VLA-UNK-eaa804fd-3
0.333
MAT-POS-590ac91e-43
0.333
ALP-POS-3fc1724e-1
0.330
DAR-DIA-8e329c92-6
0.323
MAR-UCB-f313ec4d-3
0.322
MAT-POS-590ac91e-40
0.316
MAT-POS-590ac91e-41
0.316
VLA-UNK-eaa804fd-4
0.315
DAR-DIA-9e4459de-22
0.308
ALP-POS-fc6c627f-3
0.307
MAT-POS-54c4bf04-2
0.305
DAR-DIA-8e329c92-4
0.305
VLA-UNK-eaa804fd-2
0.304
VLA-UNK-eaa804fd-1
0.304
COM-UCB-1ef4e90e-21
0.302
BEN-DND-7e92b6ca-5
0.302
DAR-DIA-9e4459de-23
0.301
DAR-DIA-9e4459de-19
0.299
DAR-DIA-9e4459de-21
0.299
DAR-DIA-9e4459de-18
0.299
DAR-DIA-9e4459de-20
0.297
DAR-DIA-9e4459de-17
0.294
DAR-DIA-8e329c92-5
0.293
LOR-NOR-30067bb9-4
0.292
MAR-TRE-c8530538-69
0.292
VLA-UNK-eaa804fd-5
0.290
ALP-POS-64a6e87e-1
0.289
MAT-UCB-70f7c0f7-1
0.287
DAR-DIA-9e4459de-24
0.286
DAR-DIA-8e329c92-7
0.282
BAR-COM-5694a99d-2
0.281
MAT-POS-590ac91e-47
0.280
DAR-DIA-8e329c92-8
0.280
MAT-POS-590ac91e-46
0.280
MAT-POS-590ac91e-53
0.278
MAR-UCB-f313ec4d-4
0.277
MAT-UCB-70f7c0f7-2
0.274
ERI-UCB-ce40166b-15
0.272
MAR-LAB-ca4662a6-6
0.271
ERI-UCB-ce40166b-16
0.269
AAR-UNI-c25c2f1e-89
0.268
MAR-TRE-c8530538-28
0.267
ADA-UCB-6c2cb422-8
0.267
NAU-LAT-a5c7d7cb-7
0.263
MAT-POS-590ac91e-38
0.263
MAT-POS-590ac91e-39
0.263
ROM-UNK-ef52a3c9-4
0.261
MAT-UCB-70f7c0f7-4
0.260
ADA-UCB-b1b30a00-2
0.260
UNK-UNK-2ede4078-28
0.255
MAR-TRE-8190bb11-95
0.250
MAR-TRE-e86a56b5-94
0.250
ERI-UCB-ce40166b-20
0.248
ERI-UCB-ce40166b-13
0.248
MAT-UCB-70f7c0f7-3
0.248
EDJ-MED-edeb0d3a-1
0.248
BEN-DND-b89db3f2-5
0.248
ERI-UCB-ce40166b-14
0.245
BAR-COM-4e090d3a-22
0.245
AAR-UNI-c25c2f1e-29
0.245
MAR-TRE-be9ff7d2-73
0.245
MAR-TRE-fd17a9b8-93
0.244
ADA-UCB-6c2cb422-9
0.243
AAR-UNI-c25c2f1e-57
0.242
AAR-UNI-c25c2f1e-83
0.242
MAR-TRE-8190bb11-49
0.241
MAR-LAB-ca4662a6-5
0.241
ERI-UCB-a0b0dbcb-9
0.240
MAR-TRE-4f781e27-83
0.239
MAR-TRE-e86a56b5-41
0.239
MAR-TRE-4f781e27-58
0.239