Molecular Properties | |
SMILES: | O=C(CC(=O)N1CCOCC1)Nc1ccccc1 |
MW: | 248.282 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 58.64 |
cLogP: | 0.873999999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-043-227-004 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-07 |
beta-keto/anhydride
VIR-GIT-7b3d3065-2
GIA-UNK-3f36037a-6
0.542
GIA-UNK-3f36037a-1
0.424
GIA-UNK-3f36037a-4
0.417
SAD-SAT-6b5a89f0-8
0.412
GIA-UNK-3f36037a-7
0.411
WIL-LEE-23e8b574-6
0.393
AHN-SAT-de2502ba-7
0.387
JAG-SYN-9c2cd0bd-8
0.373
MAK-UNK-f983951f-21
0.373
MAR-TRE-8190bb11-7
0.365
MAR-TRE-6a44bbf2-86
0.364
LON-WEI-120e5cf5-15
0.364
MAR-TRE-14ce9fd6-61
0.361
LUI-IND-a1be81af-2
0.359
MAR-TRE-dab8f6ea-3
0.345
AAR-POS-0daf6b7e-44
0.344
AAR-POS-0daf6b7e-32
0.344
MAK-UNK-b1d4dcd7-2
0.337
JOH-UNI-522b0723-10
0.329
JAG-SYN-9c2cd0bd-4
0.328
SAD-SAT-2fd372d1-8
0.328
DAR-DIA-03336633-10
0.326
WIL-LEE-23e8b574-8
0.324
PAT-GYR-de8eec61-4
0.324
GIA-UNK-eaadd1d4-3
0.324
PAT-GYR-de8eec61-7
0.321
MAR-TRE-c317dd82-7
0.316
JAG-SYN-9c2cd0bd-7
0.314
DUN-NEW-f8ce3686-13
0.313
PAT-GYR-de8eec61-1
0.312
MAR-TRE-6a44bbf2-100
0.311
AHN-SAT-de2502ba-4
0.311
MAR-TRE-1c920f6f-42
0.311
DAR-DIA-23aa0b97-20
0.310
DAR-DIA-03336633-15
0.310
JAG-SYN-9c2cd0bd-9
0.309
JAG-SYN-9c2cd0bd-14
0.309
GIA-UNK-d2defdc3-6
0.306
JAG-SYN-9c2cd0bd-3
0.304
MAR-TRE-4f781e27-49
0.304
CHR-SOS-7098f804-9
0.304
JAG-SYN-9c2cd0bd-6
0.301
CUN-WAB-25b584ee-2
0.300
BEN-DND-031a96cc-4
0.297
BEN-DND-031a96cc-5
0.297
TAM-UNI-d1c3dd9f-21
0.296
GIA-UNK-d2defdc3-5
0.295
SAD-SAT-f25ee457-3
0.293
MAR-TRE-c317dd82-13
0.293
MAR-TRE-66ac689e-61
0.291
MAR-TRE-6a44bbf2-34
0.289
AAR-UNI-c25c2f1e-33
0.289
ANU-UNK-2781581f-1
0.289
RED-SAT-26a928c9-1
0.289
MAX-MCD-16e3709a-1
0.288
MAR-TRE-67513f76-60
0.287
MAR-TRE-3e4e6814-16
0.287
BAR-COM-4e090d3a-66
0.284
ROB-UNI-b2e39629-11
0.284
MAR-TRE-6a44bbf2-9
0.284
LIL-FNM-e1865f24-1
0.284
MAR-TRE-2fd8122f-94
0.282
MED-COV-dea4df70-1
0.282
AAR-POS-d2a4d1df-21
0.282
MAR-TRE-0fda4e82-37
0.282
PAT-GYR-359dbb24-1
0.282
MAR-TRE-c317dd82-45
0.281
MAK-UNK-5d2caa6f-20
0.280
CLI-UNI-032f7715-2
0.279
BAR-COM-4e090d3a-58
0.277
TAM-UNI-d1c3dd9f-12
0.277
MAR-TRE-dab8f6ea-5
0.277
AHN-SAT-de2502ba-12
0.276
MAR-TRE-6a44bbf2-20
0.276
SAD-SAT-65574d3f-8
0.276
JOH-UNI-522b0723-12
0.276
PAT-GYR-de8eec61-3
0.276
SCO-CSI-e30c12ee-1
0.276
TAT-ENA-80bfd3e5-23
0.275
JOH-UNI-c7afdb96-12
0.275
ROB-UNI-b2e39629-12
0.275
JOH-SUS-bab12148-1
0.274
AAR-UNI-c25c2f1e-51
0.274
PAT-GYR-359dbb24-2
0.274
ANT-DIA-b7f58f21-9
0.274
MAR-TRE-6a44bbf2-83
0.273
AHN-SAT-de2502ba-13
0.273
GIA-UNK-20b63697-2
0.273
SID-ELM-b654bfa2-5
0.273
SIM-SYN-f15aaa3a-1
0.273
MAR-TRE-6a44bbf2-3
0.273
SCO-CSI-e56d7cb6-1
0.273
DAR-DIA-03336633-11
0.273
JOR-UNI-2fc98d0b-1
0.273
NAU-LAT-445f63e5-6
0.272
MAR-TRE-9c797165-3
0.272
JOH-UNI-c7afdb96-3
0.271
DAR-DIA-03336633-2
0.270
AAR-UNI-c25c2f1e-71
0.269
SAN-PRS-52b81272-2
0.269