Molecular Properties | |
SMILES: | Cc1c(N)cncc1NC(=O)C(C)c1cccc(C#N)c1 |
MW: | 280.331 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 91.8 |
cLogP: | 2.5861 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
aniline
TRY-UNI-714a760b-15
0.657
TRY-UNI-714a760b-22
0.616
TRY-UNI-714a760b-14
0.603
TRY-UNI-714a760b-23
0.560
TRY-UNI-714a760b-19
0.513
TRY-UNI-714a760b-8
0.413
TRY-UNI-714a760b-9
0.412
TRY-UNI-714a760b-13
0.405
DAR-DIA-0cde14eb-60
0.398
BEN-DND-93268d01-16
0.397
DAR-DIA-0cde14eb-15
0.389
MAK-UNK-f203cb68-13
0.383
WAR-XCH-72a8c209-2
0.380
MAK-UNK-f203cb68-22
0.379
TRY-UNI-714a760b-3
0.378
TRY-UNI-2eddb1ff-5
0.373
JAN-GHE-83b26c96-4
0.373
TRY-UNI-2eddb1ff-4
0.373
JAN-GHE-83b26c96-5
0.373
TRY-UNI-714a760b-18
0.373
TRY-UNI-714a760b-2
0.372
DAR-DIA-0cde14eb-56
0.366
DAR-DIA-0cde14eb-57
0.366
SAM-UNK-2684b532-7
0.361
DAR-DIA-0cde14eb-55
0.359
DAR-DIA-0cde14eb-43
0.357
DAR-DIA-0cde14eb-11
0.356
DAR-DIA-0cde14eb-12
0.356
DAR-DIA-0cde14eb-58
0.351
JAN-GHE-83b26c96-6
0.349
TRY-UNI-714a760b-7
0.346
JAN-GHE-83b26c96-2
0.345
DAR-DIA-0cde14eb-10
0.344
TRY-UNI-714a760b-1
0.341
TRY-UNI-714a760b-24
0.341
MAT-POS-fce787c2-3
0.341
SAM-UNK-2684b532-5
0.341
SAM-UNK-2684b532-6
0.341
DAR-DIA-0cde14eb-13
0.341
UNK-UNK-2ede4078-87
0.330
DAR-DIA-0cde14eb-42
0.327
ALP-POS-5de921e7-1
0.327
DAR-DIA-0cde14eb-41
0.327
MAK-UNK-f203cb68-2
0.323
BEN-DND-93268d01-15
0.321
TRY-UNI-714a760b-17
0.321
AHN-SAT-202241f6-1
0.321
MAK-UNK-f203cb68-12
0.320
JAN-GHE-83b26c96-3
0.319
DAR-DIA-0cde14eb-40
0.316
MAK-UNK-f203cb68-4
0.313
DAR-DIA-0cde14eb-44
0.313
MAK-UNK-f203cb68-21
0.313
MAT-POS-7ddaf7de-4
0.312
MAR-TRE-9d18ae8c-92
0.312
DAR-DIA-23aa0b97-8
0.306
JAG-UCB-cedd89ab-5
0.305
TRY-UNI-714a760b-20
0.303
TRY-UNI-2eddb1ff-3
0.302
CHR-SOS-363cfb78-2
0.299
DAR-DIA-23aa0b97-3
0.292
SAD-SAT-24589cd1-3
0.290
RAL-THA-2d450e86-12
0.290
MAK-UNK-f203cb68-17
0.290
MAK-UNK-f203cb68-19
0.289
MAK-UNK-f481d203-3
0.287
MAK-UNK-919546f0-2
0.287
MAK-UNK-f481d203-4
0.287
DAR-DIA-23aa0b97-19
0.287
GAB-REV-70cc3ca5-19
0.287
MAK-UNK-f203cb68-11
0.286
MIC-UNK-2744a8e2-4
0.284
JOH-UNI-3fc3434e-6
0.283
JOH-UNI-ee5ed7c8-6
0.283
SAD-SAT-24589cd1-8
0.283
MAK-UNK-f203cb68-20
0.279
DAR-DIA-0cde14eb-75
0.278
SAD-SAT-24589cd1-5
0.278
MAK-UNK-f203cb68-10
0.277
MAK-UNK-6ca90168-25
0.277
MAK-UNK-f203cb68-16
0.277
MIC-UNK-2744a8e2-2
0.276
JAN-GHE-83b26c96-7
0.275
MAK-UNK-f203cb68-8
0.273
DAR-DIA-3e9bbd81-11
0.272
DAR-DIA-0cde14eb-30
0.271
VLA-UNK-9a7dc93f-7
0.271
MAT-POS-fce787c2-8
0.271
JOR-UNI-61e7b1d5-2
0.271
ANN-UNI-26382800-4
0.271
DAR-DIA-23aa0b97-5
0.271
WAR-XCH-eb7b662f-1
0.271
SID-ELM-433ea7f3-1
0.269
MAT-POS-1e5f28a7-1
0.269
MIC-UNK-2744a8e2-14
0.269
EDJ-MED-ee07cf00-5
0.267
MIC-UNK-2744a8e2-8
0.267
MAK-UNK-ffc90da7-7
0.267
MIC-UNK-2744a8e2-11
0.267
SAD-SAT-24589cd1-9
0.267