Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F |
| MW: | 301.321 |
| Fraction sp3: | 0.19 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 71.09 |
| cLogP: | 2.28772 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-338-961 |
| Order Status | |
| Ordered: | 2020-03-31 |
| Synthesis Location: | enamine |
| Shipped: | 2020-05-07 |
BEN-DND-93268d01-7
0.556
BEN-DND-93268d01-5
0.493
ALE-HEI-f28a35b5-12
0.485
MAK-UNK-6ca90168-26
0.484
GAB-REV-70cc3ca5-3
0.474
ALE-HEI-f28a35b5-3
0.472
TRY-UNI-714a760b-5
0.471
BEN-DND-93268d01-4
0.467
PET-SGC-6e7c5dc0-1
0.465
DOU-UNK-b5326f8f-2
0.463
BEN-DND-93268d01-6
0.462
MAT-POS-590ac91e-17
0.459
JOH-UNI-abfda500-6
0.459
ANN-UNI-98d2bf15-1
0.459
GAB-REV-70cc3ca5-12
0.452
AAR-POS-d2a4d1df-10
0.451
ALP-POS-f13221e1-4
0.449
ALP-POS-95b75b4d-1
0.447
ALE-HEI-f28a35b5-10
0.446
MAT-POS-590ac91e-10
0.446
MAT-POS-590ac91e-11
0.443
ASH-SAT-43770c7d-9
0.441
BEN-DND-93268d01-13
0.434
TRY-UNI-714a760b-6
0.434
JAN-GHE-83b26c96-11
0.431
JAN-GHE-83b26c96-12
0.429
MAK-UNK-372b0df5-3
0.429
GAB-REV-70cc3ca5-13
0.423
ALE-HEI-f28a35b5-13
0.423
THO-SYG-cc9e9a11-2
0.422
MAT-POS-590ac91e-7
0.419
JAN-GHE-83b26c96-13
0.416
ALP-POS-95b75b4d-2
0.416
EDJ-MED-e58735b6-2
0.416
MIH-UNI-6b9ca91a-1
0.413
MAT-POS-590ac91e-23
0.413
GAB-REV-70cc3ca5-21
0.413
AAR-POS-d2a4d1df-3
0.413
MAK-UNK-6435e6c2-8
0.413
JAN-GHE-83b26c96-14
0.412
ALP-POS-95b75b4d-3
0.412
DAR-DIA-0cde14eb-76
0.412
ANN-UNI-98d2bf15-2
0.412
DAR-DIA-0cde14eb-2
0.410
THO-SYG-cc9e9a11-1
0.410
EDJ-MED-c9f55a56-1
0.408
MAT-POS-590ac91e-6
0.405
MAK-UNK-372b0df5-2
0.405
TRY-UNI-2eddb1ff-2
0.403
MAT-POS-590ac91e-15
0.403
EDG-MED-0da5ad92-8
0.403
DAR-DIA-0cde14eb-79
0.402
EDJ-MED-e58735b6-1
0.400
MAT-POS-590ac91e-9
0.400
ANN-UNI-98d2bf15-5
0.398
GAB-REV-70cc3ca5-20
0.397
EDJ-MED-3c65e9ce-4
0.397
NAT-WAB-78d8bb1c-1
0.396
PET-SGC-83d43576-1
0.395
BEN-DND-93268d01-9
0.395
ALE-HEI-f28a35b5-6
0.395
TRY-UNI-714a760b-10
0.395
BEN-DND-93268d01-11
0.395
EDG-MED-0da5ad92-4
0.395
BEN-DND-09b88bf4-5
0.395
VLA-UCB-00f2c2b3-2
0.393
GAB-REV-70cc3ca5-9
0.393
TRY-UNI-714a760b-20
0.390
BEN-DND-93268d01-3
0.390
MAT-POS-590ac91e-24
0.390
BEN-DND-93268d01-10
0.390
DAR-DIA-0cde14eb-77
0.388
BEN-DND-6de5dfa0-13
0.386
BEN-DND-93268d01-12
0.386
EDJ-MED-e58735b6-3
0.386
DAR-DIA-0cde14eb-78
0.386
EDJ-MED-3c65e9ce-1
0.385
BEN-DND-93268d01-8
0.385
ALE-HEI-f28a35b5-11
0.385
GAB-REV-70cc3ca5-17
0.384
WAR-XCH-e55cba98-11
0.384
MAK-UNK-6ca90168-27
0.382
ALP-POS-95b75b4d-4
0.381
DAR-DIA-0cde14eb-1
0.381
EDJ-MED-e58735b6-4
0.379
ALE-HEI-f28a35b5-1
0.378
TRY-UNI-714a760b-4
0.378
NIR-THE-b7e8e081-2
0.378
TRY-UNI-2eddb1ff-1
0.378
BEN-DND-6de5dfa0-7
0.378
BEN-DND-6de5dfa0-16
0.378
BEN-DND-09b88bf4-6
0.378
GAB-REV-70cc3ca5-2
0.378
ABI-SAT-4d06482b-1
0.377
DAR-DIA-0cde14eb-63
0.376
RAL-THA-6b94ceba-7
0.376
THO-SYG-cc9e9a11-3
0.376
BEN-DND-22e6b372-4
0.375
ADA-UCB-6c2cb422-4
0.375
DAR-DIA-0cde14eb-14
0.375