Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccc(CC(=O)Nc2cnccc2C)cc1 |
| MW: | 240.306 |
| Fraction sp3: | 0.2 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 2.87964 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine Extended REAL: | s_22____3391102____123958 |
| Mcule Ultimate: | ADHDKMXDJWXBNY-UHFFFAOYSA-N |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-05-26 |
ALE-HEI-f28a35b5-9
GAB-REV-70cc3ca5-20
0.714
TRY-UNI-714a760b-5
0.698
MIH-UNI-6b9ca91a-1
0.603
EDG-MED-0da5ad92-8
0.583
TRY-UNI-2eddb1ff-2
0.583
MAK-UNK-6ca90168-26
0.577
TRY-UNI-714a760b-6
0.574
EDJ-MED-e58735b6-2
0.574
JAN-GHE-83b26c96-13
0.574
ALP-POS-95b75b4d-2
0.574
EDJ-MED-e58735b6-3
0.569
ALP-POS-95b75b4d-1
0.565
JAN-GHE-83b26c96-12
0.565
ANN-UNI-98d2bf15-5
0.561
ALE-HEI-f28a35b5-3
0.550
EDJ-MED-e58735b6-1
0.547
ASH-SAT-43770c7d-9
0.545
ALE-HEI-f28a35b5-12
0.544
EDJ-MED-c9f55a56-1
0.541
ANN-UNI-98d2bf15-2
0.538
TRY-UNI-2eddb1ff-1
0.538
DAR-DIA-0cde14eb-76
0.538
JAN-GHE-83b26c96-14
0.538
ALP-POS-95b75b4d-3
0.538
DAR-DIA-0cde14eb-61
0.537
DAR-DIA-0cde14eb-64
0.537
ALP-POS-95b75b4d-4
0.537
ANN-UNI-98d2bf15-1
0.532
JOH-UNI-abfda500-6
0.532
TRY-UNI-714a760b-20
0.530
RAL-THA-6b94ceba-13
0.529
VLA-UCB-00f2c2b3-2
0.529
DAR-DIA-0cde14eb-62
0.529
DAR-DIA-0cde14eb-63
0.529
BEN-DND-93268d01-5
0.524
RAL-THA-6b94ceba-6
0.522
DAR-DIA-0cde14eb-79
0.522
DAR-DIA-0cde14eb-78
0.522
MAT-POS-c9973a83-1
0.522
VLA-UCB-00f2c2b3-1
0.522
AAR-POS-d2a4d1df-3
0.520
MAK-UNK-6435e6c2-8
0.520
MAT-POS-590ac91e-11
0.517
MAT-POS-590ac91e-6
0.517
PET-SGC-6e7c5dc0-1
0.517
BEN-DND-93268d01-10
0.516
DAR-DIA-0cde14eb-1
0.515
GAB-REV-70cc3ca5-18
0.514
RAL-THA-6b94ceba-14
0.514
EDJ-MED-3c65e9ce-1
0.508
BEN-DND-93268d01-8
0.508
RAL-THA-6b94ceba-7
0.507
DAR-DIA-0cde14eb-2
0.507
DAR-DIA-0cde14eb-74
0.507
RAL-THA-6b94ceba-15
0.500
BEN-DND-09b88bf4-5
0.500
BEN-DND-93268d01-9
0.500
DAR-DIA-0cde14eb-3
0.500
DAR-DIA-0cde14eb-77
0.500
DAR-DIA-0cde14eb-4
0.500
RAL-THA-6b94ceba-5
0.500
BEN-DND-93268d01-11
0.500
NAU-LAT-0543f7f2-6
0.500
WIL-MOD-03b86a88-2
0.500
RAL-THA-6b94ceba-16
0.493
RAL-THA-6b94ceba-12
0.493
WIL-MOD-03b86a88-5
0.493
WIL-MOD-03b86a88-3
0.493
RAL-THA-2d450e86-3
0.492
MAT-POS-590ac91e-10
0.492
MAT-POS-590ac91e-24
0.492
ALE-HEI-f28a35b5-10
0.492
RAL-THA-6b94ceba-8
0.486
WIL-MOD-03b86a88-6
0.486
EDJ-MED-e58735b6-4
0.486
NAU-LAT-0543f7f2-7
0.486
GAB-REV-70cc3ca5-13
0.485
MAT-POS-590ac91e-17
0.484
MAT-POS-590ac91e-7
0.484
MAT-POS-590ac91e-9
0.484
DAR-DIA-0cde14eb-14
0.479
RAL-THA-6b94ceba-9
0.479
GAB-REV-70cc3ca5-23
0.479
BEN-DND-03406596-7
0.478
BEN-DND-6de5dfa0-1
0.478
BEN-DND-09b88bf4-2
0.478
NIR-THE-b7e8e081-1
0.478
BEN-DND-93268d01-7
0.478
EDJ-MED-3c65e9ce-4
0.477
MAT-POS-590ac91e-23
0.476
GAB-REV-70cc3ca5-21
0.476
TRY-UNI-714a760b-10
0.476
ALE-HEI-f28a35b5-6
0.476
EDG-MED-0da5ad92-4
0.476
RAL-THA-901e9a10-1
0.474
RAL-THA-6b94ceba-11
0.473
BAR-COM-0f94fc3d-28
0.473
SAD-SAT-7d5528d9-1
0.473
MAT-POS-e501d84c-1
0.473
MAK-UNK-6ca90168-27
0.473