Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1 |
MW: | 242.278 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.96 |
cLogP: | 2.0524 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z638861820 |
Enamine REAL: | Z638861820 |
Enamine Extended REAL: | s_276436____14076144____14085874 |
Mcule: | MCULE-3445521206 |
MolPort: | MolPort-028-947-673 |
Order Status | |
Shipped: | 2020-05-07 |
beta-keto/anhydride
Ketones
Ketone
oxy-amide
AAR-POS-d2a4d1df-1
JOH-UNI-c7afdb96-7
0.885
JOH-UNI-c7afdb96-6
0.852
JOH-UNI-c7afdb96-13
0.617
WAR-XCH-eb7b662f-6
0.373
JOH-UNI-c7afdb96-5
0.370
MAR-TRE-14ce9fd6-43
0.354
JOH-UNI-c7afdb96-11
0.333
JOH-UNI-c7afdb96-12
0.333
JOH-UNI-c7afdb96-1
0.328
MIC-UNK-1e397c67-1
0.326
MIC-UNK-2744a8e2-13
0.326
TRY-UNI-714a760b-23
0.312
MIC-UNK-2744a8e2-3
0.311
MAR-TRE-9d18ae8c-43
0.310
MAK-UNK-942dcb71-11
0.309
NIR-THE-0d6461ce-1
0.307
JOH-UNI-c7afdb96-4
0.307
JAG-UCB-ef2c0e8e-3
0.305
MAK-UNK-942dcb71-12
0.304
MIC-UNK-2744a8e2-5
0.301
AAR-UNI-c25c2f1e-22
0.300
AAR-UNI-c25c2f1e-98
0.298
MAR-TRE-3159af1a-85
0.297
MAR-TRE-f5c2d31c-9
0.297
LOR-NOR-30067bb9-8
0.296
MIC-UNK-2744a8e2-4
0.294
RAL-MED-2de63afb-11
0.293
KEI-TRE-d5e2018a-29
0.293
UNK-CYC-68f84b31-32
0.292
JOH-UNI-c7afdb96-3
0.292
TRY-UNI-714a760b-24
0.291
MAR-TRE-f5c2d31c-18
0.290
MAR-TRE-f6f5f473-59
0.289
ALP-POS-95b75b4d-9
0.287
AAR-UNI-c25c2f1e-74
0.287
RAL-MED-2de63afb-16
0.286
MAK-UNK-752736de-6
0.286
RAL-MED-2de63afb-15
0.286
MIC-UNK-2744a8e2-2
0.284
MAK-UNK-c8c8f7e2-44
0.284
MIC-UNK-2744a8e2-12
0.281
MAR-TRE-3e4e6814-29
0.281
BAR-COM-4e090d3a-53
0.276
AGN-NEW-c7b24fe3-3
0.275
MAR-TRE-04c86cea-91
0.275
JAG-UCB-ef2c0e8e-2
0.274
JOH-UNI-c7afdb96-14
0.274
TRY-UNI-9f475305-10
0.274
AAR-UNI-c25c2f1e-93
0.273
JAN-GHE-4287bd1a-3
0.272
WAR-XCH-b6889685-27
0.272
MAR-TRE-1c920f6f-90
0.271
KEI-TRE-d5e2018a-24
0.271
DAR-DIA-0cde14eb-9
0.271
MAK-UNK-c8c8f7e2-27
0.270
DAR-DIA-23aa0b97-4
0.269
DAR-DIA-23aa0b97-8
0.269
MAK-UNK-c8c8f7e2-23
0.269
MAK-UNK-ec98eaf6-32
0.268
BAR-COM-4e090d3a-20
0.267
MAK-UNK-c8c8f7e2-21
0.267
MAK-UNK-af83ef51-13
0.267
MAK-UNK-c8c8f7e2-42
0.267
JAG-UCB-cedd89ab-5
0.267
MAT-POS-590ac91e-14
0.266
RAL-MED-2de63afb-10
0.266
MIC-UNK-2744a8e2-9
0.265
RAL-MED-2de63afb-7
0.265
JOR-UNI-61e7b1d5-2
0.263
ANN-UNI-26382800-4
0.263
DAR-DIA-23aa0b97-5
0.263
WAR-XCH-eb7b662f-1
0.263
ANN-UNI-26382800-6
0.263
MAR-TRE-04c86cea-43
0.263
TRY-UNI-714a760b-9
0.263
AAR-UNI-c25c2f1e-75
0.262
MIC-UNK-2744a8e2-11
0.260
MIC-UNK-2744a8e2-8
0.260
MAK-UNK-7a704a63-1
0.260
MAK-UNK-c8c8f7e2-19
0.260
MAR-TRE-f6f5f473-3
0.260
MAK-UNK-7a704a63-9
0.260
MAK-UNK-10dfa458-22
0.260
JAG-UCB-ef2c0e8e-10
0.260
WIL-UNI-5578df48-19
0.259
MAR-TRE-1c920f6f-98
0.259
AGN-NEW-c7b24fe3-6
0.259
MAR-TRE-f6f5f473-63
0.259
WAR-XCH-b72a1bbc-45
0.259
MIC-UNK-2744a8e2-6
0.258
MAK-UNK-c8c8f7e2-26
0.257
MAK-UNK-7a704a63-12
0.257
MAK-UNK-7a704a63-13
0.257
MAK-UNK-c8c8f7e2-29
0.256
MAK-UNK-7a704a63-14
0.256
MAK-UNK-c8c8f7e2-24
0.256
MAK-UNK-c8c8f7e2-22
0.256
MAK-UNK-c8c8f7e2-28
0.256
DAR-DIA-23aa0b97-3
0.256
AGN-NEW-c7b24fe3-2
0.256