Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CCc1ccccc1F |
| MW: | 258.12 |
| Fraction sp3: | 0.2 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 3.1 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1129284855 |
| Enamine Extended REAL: | s_22____3391102____94787 |
| Mcule Ultimate: | QOFPSTBMBIOUPW-UHFFFAOYSA-N |
| MolPort: | MolPort-047-550-793 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-24 |
AAR-POS-d2a4d1df-1
BEN-DND-93268d01-5
0.567
BEN-DND-93268d01-4
0.559
PET-SGC-2e937068-1
0.556
JOH-UNI-abfda500-6
0.552
ANN-UNI-98d2bf15-1
0.552
BEN-DND-93268d01-6
0.549
TRY-UNI-714a760b-5
0.547
MAT-POS-590ac91e-17
0.529
PET-SGC-83d43576-1
0.526
ALE-HEI-f28a35b5-12
0.516
ALP-POS-f13221e1-4
0.514
ALP-POS-95b75b4d-1
0.493
JAN-GHE-83b26c96-12
0.493
MAT-POS-590ac91e-10
0.493
PET-SGC-6e7c5dc0-1
0.493
MAT-POS-590ac91e-11
0.492
ASH-SAT-43770c7d-9
0.492
MAK-UNK-6ca90168-26
0.492
THO-SYG-cc9e9a11-1
0.487
GAB-REV-70cc3ca5-3
0.480
BEN-DND-93268d01-13
0.479
ALE-HEI-f28a35b5-3
0.478
JAN-GHE-83b26c96-11
0.478
PET-SGC-d0fd10df-1
0.476
CHO-MSK-6e55470f-21
0.473
ALE-HEI-f28a35b5-10
0.471
THO-SYG-cc9e9a11-2
0.462
DAR-DIA-0cde14eb-79
0.461
TRY-UNI-714a760b-6
0.458
JAN-GHE-83b26c96-13
0.458
ALP-POS-95b75b4d-2
0.458
EDJ-MED-e58735b6-2
0.458
GAB-REV-70cc3ca5-21
0.457
MIH-UNI-6b9ca91a-1
0.457
JAN-GHE-83b26c96-14
0.453
ALP-POS-95b75b4d-3
0.453
DAR-DIA-0cde14eb-76
0.453
MAK-UNK-372b0df5-3
0.452
EDJ-MED-c9f55a56-1
0.451
MAT-POS-590ac91e-24
0.451
MAT-POS-590ac91e-6
0.449
DAR-DIA-0cde14eb-2
0.449
TRY-UNI-2eddb1ff-2
0.444
MAT-POS-590ac91e-15
0.444
EDG-MED-0da5ad92-8
0.444
MAT-POS-590ac91e-7
0.443
MAT-POS-590ac91e-9
0.443
ALE-HEI-f28a35b5-1
0.441
TRY-UNI-714a760b-4
0.441
MAK-UNK-6435e6c2-8
0.441
AAR-POS-d2a4d1df-3
0.441
GAB-REV-70cc3ca5-22
0.440
EDJ-MED-e58735b6-1
0.440
GAB-REV-70cc3ca5-12
0.439
GAB-REV-70cc3ca5-20
0.438
MAT-POS-590ac91e-23
0.437
ANN-UNI-98d2bf15-5
0.436
ALP-POS-95b75b4d-4
0.436
DAR-DIA-0cde14eb-1
0.436
ANN-UNI-98d2bf15-2
0.434
SAM-UNK-2684b532-9
0.434
DAR-DIA-0cde14eb-62
0.430
DAR-DIA-0cde14eb-63
0.430
GAB-REV-70cc3ca5-9
0.430
TRY-UNI-714a760b-20
0.429
DAR-DIA-0cde14eb-14
0.427
GAB-REV-70cc3ca5-13
0.427
DAR-DIA-0cde14eb-4
0.425
DAR-DIA-0cde14eb-77
0.425
DAR-DIA-0cde14eb-3
0.425
EDJ-MED-3c65e9ce-1
0.425
BEN-DND-93268d01-8
0.425
EDJ-MED-e58735b6-3
0.423
DAR-DIA-0cde14eb-78
0.423
MAT-POS-c9973a83-1
0.423
WAR-XCH-e55cba98-11
0.420
RAL-THA-6b94ceba-16
0.420
DAR-DIA-0cde14eb-64
0.418
DAR-DIA-0cde14eb-61
0.418
SIM-DEM-f31d0e65-1
0.418
BEN-DND-09b88bf4-5
0.417
BEN-DND-93268d01-9
0.417
ALE-HEI-f28a35b5-6
0.417
TRY-UNI-714a760b-10
0.417
ABI-SAT-4d06482b-1
0.417
BEN-DND-93268d01-11
0.417
EDG-MED-0da5ad92-4
0.417
TRY-UNI-2eddb1ff-1
0.416
NAT-WAB-78d8bb1c-1
0.414
BEN-DND-93268d01-10
0.411
BEN-DND-93268d01-3
0.411
EDG-MED-0da5ad92-7
0.410
ADA-UCB-6c2cb422-4
0.410
THO-SYG-cc9e9a11-3
0.409
BEN-DND-09b88bf4-3
0.408
BEN-DND-6de5dfa0-3
0.408
NAU-LAT-3f5f3993-5
0.408
RAL-THA-6b94ceba-15
0.407
RAL-THA-6b94ceba-5
0.407
GAB-REV-70cc3ca5-23
0.407