Molecular Properties | |
SMILES: | O=C(CC(=O)N1CCOCC1)NCc1ccccc1 |
MW: | 262.309 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 58.64 |
cLogP: | 0.5517 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | BBV-113362185 |
MolPort: | MolPort-043-226-937 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-13 |
beta-keto/anhydride
VIR-GIT-7b3d3065-2
GIA-UNK-3f36037a-2
0.542
PAT-GYR-de8eec61-1
0.479
GIA-UNK-3f36037a-5
0.459
PAT-GYR-de8eec61-4
0.423
GIA-UNK-3f36037a-1
0.403
PAT-GYR-de8eec61-7
0.392
PAT-GYR-de8eec61-3
0.390
SAD-SAT-2fd372d1-2
0.388
AAR-POS-d2a4d1df-21
0.382
PAT-GYR-359dbb24-1
0.382
MAK-UNK-f983951f-21
0.377
PAT-GYR-359dbb24-2
0.371
NAU-LAT-64f4b287-9
0.369
TAM-UNI-d1c3dd9f-12
0.362
PAT-GYR-359dbb24-4
0.361
PAT-GYR-359dbb24-3
0.347
PAT-GYR-359dbb24-5
0.342
LON-WEI-1908424e-1
0.338
DUN-NEW-f8ce3686-13
0.333
DAR-DIA-03336633-10
0.330
JOH-UNI-c7afdb96-15
0.328
DRR-IMP-38dce17f-3
0.328
MAK-UNK-7c9d1431-24
0.328
MAR-TRE-f6f5f473-82
0.326
PAT-GYR-de8eec61-6
0.326
PAT-GYR-de8eec61-5
0.325
MAR-TRE-6a44bbf2-9
0.324
MAK-UNK-10799360-19
0.322
PAT-GYR-de8eec61-2
0.321
MAR-TRE-3e4e6814-5
0.317
MAR-TRE-6a44bbf2-67
0.315
LUI-IND-a1be81af-2
0.313
MAR-TRE-6a44bbf2-34
0.312
GIA-UNK-d2defdc3-6
0.311
MAK-UNK-15efde89-1
0.310
AAR-UNI-c25c2f1e-21
0.310
MAR-TRE-f6f5f473-94
0.310
MAR-TRE-3159af1a-14
0.310
MAR-TRE-a3327163-36
0.310
ARI-TAT-5792557e-4
0.309
TAM-UNI-d1c3dd9f-7
0.309
MAR-TRE-3e4e6814-84
0.307
SCO-CSI-e30c12ee-1
0.306
MAR-TRE-c317dd82-7
0.305
IAN-BAS-647c7407-1
0.305
TAM-UNI-d1c3dd9f-21
0.301
DAN-MCD-1c3944e2-1
0.300
MAR-TRE-8190bb11-7
0.300
BAR-COM-0f94fc3d-33
0.299
MAR-TRE-a3327163-30
0.299
SAD-SAT-65574d3f-8
0.299
MAR-TRE-6a44bbf2-20
0.299
AHN-SAT-de2502ba-12
0.299
MAR-TRE-fd17a9b8-91
0.297
AAR-UNI-c25c2f1e-9
0.296
MAR-TRE-6a44bbf2-28
0.296
MAK-UNK-7c9d1431-23
0.296
GIA-UNK-eaadd1d4-3
0.293
MAT-POS-b5746674-51
0.292
MAR-TRE-3e4e6814-12
0.292
MAR-TRE-fd17a9b8-68
0.291
NAU-LAT-f723e322-5
0.291
GIA-UNK-5ec6c2b8-5
0.290
PET-SGC-cb83a00c-1
0.289
ROB-UNI-b2e39629-11
0.289
MAR-TRE-74c6519b-27
0.289
MAR-TRE-f6f5f473-55
0.289
MAR-TRE-3e4e6814-73
0.289
MAR-TRE-0fda4e82-52
0.288
MAR-TRE-0fda4e82-37
0.288
DAN-MCD-9b81d1fa-1
0.286
DAN-MCD-b3a5626f-1
0.286
MAR-TRE-3e4e6814-14
0.286
DRA-CSI-47e38074-3
0.286
MAR-TRE-04c86cea-23
0.284
ALP-POS-8ed8d9ec-6
0.284
MAR-TRE-04c86cea-6
0.284
SAD-SAT-29425be4-29
0.284
GIA-UNK-d2defdc3-5
0.284
MAK-UNK-af83ef51-2
0.284
MAK-UNK-f983951f-22
0.284
DAN-MCD-5390ac8b-1
0.283
MAR-TRE-4b834d9a-23
0.283
ROD-UFR-93b30032-1
0.282
WIL-UNI-1faa9b10-51
0.282
MAR-TRE-66ac689e-61
0.280
STE-KUL-2e0d2e88-1
0.280
ROB-UNI-b2e39629-12
0.280
MAR-TRE-3e4e6814-7
0.280
AAR-POS-d2a4d1df-29
0.279
MAR-TRE-6a44bbf2-61
0.279
SIM-SYN-f15aaa3a-1
0.279
MAR-TRE-f6f5f473-90
0.279
GIA-UNK-20b63697-2
0.278
AAR-UNI-c25c2f1e-35
0.278
DRA-CSI-47e38074-2
0.277
MAK-UNK-10dfa458-39
0.276
MAR-TRE-fd17a9b8-20
0.275
LON-WEI-5e7d1b3e-16
0.275
MAT-POS-b5746674-109
0.275