Molecular Properties | |
SMILES: | C/C=C/C(=O)Nc1cccc(OC2CC(=O)N2)c1 |
MW: | 246.1 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 67.43 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
betalactam
Activated double bonds (2)
b-lactam
vinyl michael acceptor1
AAR-POS-0daf6b7e-21
RAL-MED-2de63afb-9
0.712
RAL-MED-2de63afb-11
0.629
RAL-MED-2de63afb-6
0.543
RAL-MED-2de63afb-15
0.534
RAL-MED-2de63afb-16
0.534
BAR-COM-4e090d3a-39
0.521
RAL-MED-2de63afb-4
0.521
RAL-MED-2de63afb-1
0.521
BAR-COM-4e090d3a-53
0.513
ERI-UCB-ce40166b-1
0.442
RAL-THA-901e9a10-7
0.393
BRU-LEF-c49414a7-1
0.393
RAL-MED-2de63afb-5
0.378
ERI-UCB-ce40166b-2
0.362
RAL-MED-2de63afb-2
0.345
TRY-UNI-69298daf-1
0.344
TRY-UNI-69298daf-3
0.341
TRY-UNI-bbd40bb4-2
0.341
TRY-UNI-69298daf-5
0.333
ANT-OPE-6e66bf84-2
0.330
RAY-UNI-5365d7e5-1
0.327
BEN-DND-b89db3f2-3
0.326
MAR-UCB-ad2ff052-1
0.323
RAL-THA-901e9a10-1
0.322
ANT-OPE-6e66bf84-1
0.322
ERI-UCB-ce40166b-21
0.320
RAL-THA-901e9a10-5
0.319
RAL-THA-901e9a10-6
0.319
RAL-MED-2de63afb-14
0.318
ERI-UCB-ce40166b-13
0.316
WIL-MOD-03b86a88-1
0.315
RAL-THA-901e9a10-2
0.315
TRY-UNI-2eddb1ff-7
0.315
TRY-UNI-2eddb1ff-8
0.315
MAK-UNK-7a704a63-2
0.311
MAK-UNK-c8c8f7e2-14
0.311
TRY-UNI-bbd40bb4-1
0.310
TRY-UNI-bbd40bb4-4
0.306
RAL-THA-901e9a10-4
0.305
RAL-THA-901e9a10-3
0.305
TRY-UNI-2eddb1ff-6
0.305
DAR-DIA-667e571f-1
0.303
MAR-UCB-ad2ff052-2
0.299
JAG-UCB-ef2c0e8e-10
0.295
JAG-UCB-ef2c0e8e-2
0.293
ERI-UCB-ce40166b-5
0.290
MAK-UNK-c8c8f7e2-43
0.289
TRY-UNI-bbd40bb4-6
0.289
ERI-UCB-ce40166b-9
0.287
MAK-UNK-c8c8f7e2-44
0.286
MAK-UNK-c8c8f7e2-42
0.286
ALP-POS-a30bcdb4-1
0.286
MAR-UCB-ad2ff052-3
0.283
DAR-DIA-1d7f034a-1
0.283
MAT-POS-3b92565d-6
0.283
MAT-POS-3b92565d-9
0.283
ANN-UNI-26382800-6
0.282
JAN-GHE-f4ca5a00-15
0.282
ALP-POS-3fc1724e-6
0.280
RAL-THA-065e0743-2
0.280
MAK-UNK-c8c8f7e2-19
0.280
ALF-EVA-0b412456-6
0.279
FRA-DIA-b66f7109-4
0.279
FRA-DIA-b66f7109-1
0.279
ALP-POS-3fc1724e-5
0.278
MAK-UNK-7a704a63-12
0.276
MAK-UNK-c8c8f7e2-26
0.276
MAK-UNK-7a704a63-13
0.276
YUN-WES-58b0dbae-10
0.275
MAK-UNK-c8c8f7e2-28
0.275
MAK-UNK-c8c8f7e2-29
0.275
YUN-WES-64c64eb2-3
0.275
MAK-UNK-7a704a63-14
0.275
RAL-THA-901e9a10-8
0.274
ROB-UNI-83ecb295-1
0.274
MAK-UNK-c8c8f7e2-27
0.273
MAK-UNK-c8c8f7e2-13
0.273
MAK-UNK-7a704a63-3
0.273
TRY-UNI-69298daf-2
0.272
MAK-UNK-7a704a63-15
0.272
HAR-NEW-ca1d46ce-1
0.271
TRY-UNI-69298daf-6
0.270
MAK-UNK-c8c8f7e2-21
0.269
RAL-MED-2de63afb-7
0.267
ALP-POS-3b848b35-2
0.267
EDJ-MED-7320d5d2-1
0.267
MAT-POS-3b92565d-3
0.267
FRA-DIA-b66f7109-2
0.267
JOH-UNI-c7afdb96-8
0.266
MAK-UNK-6435e6c2-4
0.263
MAK-UNK-7a704a63-1
0.263
MAK-UNK-10dfa458-3
0.263
RYA-UNI-8a7f7a0d-1
0.262
TRY-UNI-bbd40bb4-3
0.261
ERI-UCB-ce40166b-17
0.260
ALP-POS-3fc1724e-2
0.260
JOH-UNI-c7afdb96-7
0.259
MAR-TRE-2fd8122f-81
0.259
MAK-UNK-c8c8f7e2-24
0.259
MAR-TRE-6a44bbf2-76
0.259