Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)C(C#N)C(=O)CC(C)C)c1 |
MW: | 258.321 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 69.96 |
cLogP: | 2.6885 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z638862034 |
Enamine REAL: | Z638862034 |
Enamine Extended REAL: | s_276436____14076144____14085888 |
Mcule: | MCULE-3734138143 |
MolPort: | MolPort-009-562-581 |
Order Status | |
Shipped: | 2020-05-07 |
beta-keto/anhydride
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
Long aliphatic chain
oxy-amide
AAR-POS-d2a4d1df-1
JOH-UNI-c7afdb96-8
0.617
JOH-UNI-c7afdb96-11
0.603
JOH-UNI-c7afdb96-7
0.597
JOH-UNI-c7afdb96-6
0.578
JOH-UNI-c7afdb96-12
0.409
JOH-UNI-c7afdb96-5
0.365
AAR-UNI-c25c2f1e-74
0.361
MAR-TRE-14ce9fd6-43
0.350
WAR-XCH-eb7b662f-6
0.348
JOH-UNI-c7afdb96-1
0.324
JAG-UCB-ef2c0e8e-3
0.317
LOR-NOR-30067bb9-8
0.309
MAR-TRE-f5c2d31c-9
0.308
MAR-TRE-9d18ae8c-43
0.306
JOH-UNI-c7afdb96-4
0.303
TRY-UNI-9f475305-10
0.301
MIC-UNK-2744a8e2-2
0.295
AAR-UNI-c25c2f1e-98
0.294
MIC-UNK-2744a8e2-13
0.293
MAR-TRE-3159af1a-85
0.293
MIC-UNK-1e397c67-1
0.293
MIC-UNK-2744a8e2-12
0.292
MIC-UNK-2744a8e2-4
0.291
KEI-TRE-d5e2018a-29
0.289
JOH-UNI-c7afdb96-14
0.288
JOH-UNI-c7afdb96-3
0.288
TRY-UNI-714a760b-24
0.287
MAR-TRE-f5c2d31c-18
0.287
JOH-UNI-c7afdb96-9
0.284
AAR-UNI-c25c2f1e-22
0.283
MAK-UNK-af83ef51-13
0.280
MAR-TRE-3e4e6814-29
0.278
JOH-UNI-c7afdb96-10
0.277
TRY-UNI-714a760b-23
0.277
ANN-UNI-26382800-6
0.276
MIC-UNK-2744a8e2-9
0.276
UNK-CYC-68f84b31-32
0.275
MIC-UNK-2744a8e2-14
0.273
MAR-TRE-f6f5f473-59
0.273
MAR-TRE-04c86cea-43
0.273
AGN-NEW-c7b24fe3-3
0.272
MIC-UNK-2744a8e2-5
0.271
MIC-UNK-2744a8e2-8
0.271
MIC-UNK-2744a8e2-11
0.271
AAR-UNI-c25c2f1e-18
0.271
MAR-TRE-9d18ae8c-54
0.271
MAR-TRE-f6f5f473-3
0.270
NIR-THE-0d6461ce-1
0.269
AAR-UNI-c25c2f1e-89
0.269
ALP-POS-95b75b4d-9
0.268
MIC-UNK-2744a8e2-6
0.268
MAK-UNK-942dcb71-11
0.268
MAR-TRE-1c920f6f-90
0.267
MAR-TRE-9d18ae8c-30
0.267
KEI-TRE-d5e2018a-24
0.267
MIC-UNK-2744a8e2-3
0.266
DAR-DIA-23aa0b97-4
0.266
MIC-UNK-2744a8e2-10
0.265
MAK-UNK-ec98eaf6-32
0.265
JAG-UCB-cedd89ab-5
0.263
MIC-UNK-2744a8e2-7
0.263
MAR-TRE-6a44bbf2-71
0.262
MAR-TRE-799db12b-16
0.262
WAR-XCH-eb7b662f-1
0.260
ANN-UNI-26382800-4
0.260
DAR-DIA-23aa0b97-5
0.260
JOR-UNI-61e7b1d5-2
0.260
MAR-TRE-66ac689e-72
0.259
TRY-UNI-714a760b-22
0.259
AAR-UNI-c25c2f1e-8
0.258
MAR-TRE-1c920f6f-98
0.256
MAR-TRE-04c86cea-91
0.256
JAN-GHE-4287bd1a-3
0.255
TRY-UNI-9f475305-11
0.253
DAR-DIA-23aa0b97-3
0.253
DAR-DIA-0cde14eb-9
0.253
NAU-LAT-f723e322-3
0.250
MAT-POS-3d050446-1
0.250
DAR-DIA-23aa0b97-8
0.250
DAR-DIA-23aa0b97-19
0.250
MAR-TRE-0fda4e82-100
0.247
DAR-DIA-23aa0b97-1
0.247
MAK-UNK-942dcb71-12
0.247
MAK-UNK-752736de-6
0.247
MAR-TRE-14ce9fd6-37
0.244
BAR-COM-4e090d3a-53
0.244
KEI-TRE-d5e2018a-40
0.244
MAR-TRE-92684b97-86
0.244
MAR-TRE-2fd8122f-69
0.244
FRA-BIO-8bf1eac9-4
0.242
DAR-DIA-23aa0b97-18
0.242
MAR-TRE-f5c2d31c-6
0.242
MAR-TRE-6c5ef77a-47
0.242
AAR-UNI-c25c2f1e-93
0.242
MAR-TRE-92684b97-85
0.241
WIL-UNI-5578df48-19
0.241
JOO-IND-6372a4f3-2
0.241
MAK-UNK-10dfa458-22
0.241
MAK-UNK-7a704a63-9
0.241
RAL-MED-2de63afb-11
0.241