Molecular Properties | |
SMILES: | Cc1c(N)cncc1NC(=O)C(C)c1ccccc1 |
MW: | 255.321 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 68.01 |
cLogP: | 2.71442 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
aniline
BEN-DND-93268d01-16
0.661
TRY-UNI-714a760b-15
0.641
TRY-UNI-714a760b-21
0.603
TRY-UNI-714a760b-8
0.557
AHN-SAT-202241f6-1
0.548
TRY-UNI-714a760b-17
0.548
BEN-DND-93268d01-15
0.524
TRY-UNI-714a760b-2
0.500
TRY-UNI-714a760b-13
0.471
BEN-DND-03406596-11
0.468
BEN-DND-03406596-4
0.468
BEN-DND-03406596-12
0.468
BEN-DND-93268d01-1
0.468
TRY-UNI-714a760b-9
0.457
TRY-UNI-714a760b-23
0.432
TRY-UNI-714a760b-7
0.400
TRY-UNI-714a760b-3
0.397
TRY-UNI-714a760b-1
0.394
MAK-UNK-f481d203-4
0.384
MAK-UNK-919546f0-2
0.384
MAK-UNK-f481d203-3
0.384
TRY-UNI-714a760b-19
0.372
WAR-XCH-72a8c209-2
0.365
MAK-UNK-f203cb68-13
0.352
MAK-UNK-f203cb68-22
0.348
ABI-SAT-4d06482b-1
0.347
BEN-DND-93268d01-3
0.342
TRY-UNI-714a760b-18
0.338
TRY-UNI-2eddb1ff-5
0.338
TRY-UNI-2eddb1ff-4
0.338
JAN-GHE-83b26c96-5
0.338
JAN-GHE-83b26c96-4
0.338
MAT-POS-fce787c2-3
0.338
MAT-POS-7ddaf7de-4
0.337
JAN-GHE-83b26c96-6
0.329
TRY-UNI-2eddb1ff-3
0.329
DAR-DIA-0cde14eb-55
0.326
JAN-GHE-83b26c96-2
0.325
BEN-DND-93268d01-2
0.325
SAM-UNK-2684b532-7
0.325
ALP-POS-5de921e7-1
0.322
TRY-UNI-714a760b-22
0.321
DAR-DIA-0cde14eb-57
0.318
DAR-DIA-0cde14eb-58
0.318
DAR-DIA-0cde14eb-56
0.318
BEN-DND-93268d01-14
0.316
DAR-DIA-0cde14eb-10
0.310
DAR-DIA-0cde14eb-60
0.308
DAR-DIA-0cde14eb-12
0.306
DAR-DIA-0cde14eb-13
0.306
DAR-DIA-0cde14eb-11
0.306
HAN-NEW-5f56c3bc-1
0.306
SAM-UNK-2684b532-5
0.305
SAM-UNK-2684b532-6
0.305
DRE-WAB-eb790b7a-1
0.305
PED-UNI-8d53fd73-1
0.305
DAN-RED-da448e80-1
0.305
PED-UNI-5b7f1100-1
0.305
SAM-UNK-2684b532-1
0.298
DAR-DIA-0cde14eb-40
0.297
JAN-GHE-83b26c96-7
0.296
DAR-DIA-0cde14eb-15
0.295
MAK-UNK-f203cb68-21
0.293
DAR-DIA-0cde14eb-41
0.293
DAR-DIA-0cde14eb-42
0.293
DAR-DIA-0cde14eb-44
0.293
TRY-UNI-714a760b-4
0.292
ALE-HEI-f28a35b5-1
0.292
MAK-UNK-f203cb68-2
0.287
MAK-UNK-f203cb68-12
0.287
DAR-DIA-0cde14eb-70
0.286
DAR-DIA-0cde14eb-43
0.284
JAN-GHE-83b26c96-3
0.284
JAN-GHE-83b26c96-9
0.284
DAR-DIA-0cde14eb-72
0.282
MAK-UNK-f203cb68-17
0.282
MAK-UNK-f203cb68-16
0.282
DAR-DIA-0cde14eb-73
0.282
SAM-UNK-2684b532-10
0.281
MAK-UNK-f203cb68-4
0.280
DAR-DIA-0cde14eb-71
0.279
MAT-POS-1f3f1a6f-2
0.276
VLA-UNK-9a7dc93f-7
0.276
ADA-UNI-f8e79267-5
0.275
ADA-UNI-f8e79267-2
0.274
MAT-POS-1f3f1a6f-1
0.274
ERI-UCB-5b47150d-1
0.271
MAT-POS-590ac91e-2
0.271
MAT-POS-590ac91e-1
0.271
MAK-UNK-ffc90da7-7
0.271
DAR-DIA-0cde14eb-75
0.270
ANN-UNI-98d2bf15-1
0.269
JOH-UNI-abfda500-6
0.269
TRY-UNI-2eddb1ff-8
0.269
MAR-TRE-9d18ae8c-99
0.268
PET-SGC-b0f8bd49-1
0.268
DRE-WAB-ae4a693c-1
0.268
BEN-DND-362d364a-12
0.268
PET-SGC-d0156db4-1
0.268
EDJ-MED-cf4b0d25-4
0.267