Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1 |
| MW: | 298.346 |
| Fraction sp3: | 0.19 |
| HBA: | 4 |
| HBD: | 3 |
| Rotatable Bonds: | 5 |
| TPSA: | 83.12 |
| cLogP: | 2.39902 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-03-31 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-24 |
MAK-UNK-6435e6c2-8
MAK-UNK-6435e6c2-8
0.549
AAR-POS-d2a4d1df-3
0.549
MAK-UNK-6ca90168-26
0.545
ASH-SAT-43770c7d-9
0.517
ALE-HEI-f28a35b5-12
0.517
GAB-REV-70cc3ca5-3
0.500
ALE-HEI-f28a35b5-3
0.500
MAT-POS-590ac91e-6
0.492
MAT-POS-590ac91e-11
0.492
MAT-POS-590ac91e-7
0.484
JAN-GHE-83b26c96-11
0.476
TRY-UNI-714a760b-5
0.476
GAB-REV-70cc3ca5-17
0.473
GAB-REV-70cc3ca5-4
0.473
EDJ-MED-c9f55a56-1
0.470
PET-SGC-6e7c5dc0-1
0.469
GAB-REV-70cc3ca5-13
0.464
EDJ-MED-3c65e9ce-1
0.463
BEN-DND-93268d01-8
0.463
MAT-POS-590ac91e-15
0.463
TRY-UNI-2eddb1ff-2
0.463
EDG-MED-0da5ad92-8
0.463
MAT-POS-590ac91e-9
0.462
RAL-THA-6b94ceba-5
0.459
BEN-DND-93268d01-7
0.457
GAB-REV-70cc3ca5-20
0.456
JAN-GHE-83b26c96-13
0.456
TRY-UNI-714a760b-6
0.456
BEN-DND-93268d01-13
0.456
EDJ-MED-e58735b6-2
0.456
TRY-UNI-714a760b-10
0.455
MAT-POS-590ac91e-23
0.455
BEN-DND-93268d01-9
0.455
EDG-MED-0da5ad92-4
0.455
BEN-DND-09b88bf4-5
0.455
MIH-UNI-6b9ca91a-1
0.455
BEN-DND-93268d01-11
0.455
ALE-HEI-f28a35b5-6
0.455
BEN-DND-22e6b372-4
0.449
MAK-UNK-6ca90168-27
0.448
MAT-POS-590ac91e-24
0.448
ALE-HEI-f28a35b5-10
0.448
BEN-DND-93268d01-10
0.448
MAT-POS-590ac91e-10
0.448
BEN-DND-6de5dfa0-14
0.444
MAT-POS-590ac91e-13
0.444
ERI-UCB-5b47150d-1
0.443
MAT-POS-590ac91e-2
0.443
MAT-POS-590ac91e-1
0.443
JOH-UNI-abfda500-6
0.441
ANN-UNI-98d2bf15-1
0.441
MAT-POS-590ac91e-17
0.441
BEN-DND-6de5dfa0-15
0.438
DAR-DIA-0cde14eb-78
0.438
TRY-UNI-714a760b-4
0.438
ALE-HEI-f28a35b5-1
0.438
BEN-DND-22e6b372-3
0.437
MAT-POS-590ac91e-25
0.437
EDJ-MED-3c65e9ce-4
0.435
BEN-DND-93268d01-5
0.435
ALP-POS-95b75b4d-2
0.435
DAR-DIA-0cde14eb-76
0.431
ALP-POS-f13221e1-4
0.431
JAN-GHE-83b26c96-14
0.431
ALP-POS-95b75b4d-3
0.431
JAN-GHE-83b26c96-12
0.429
ALP-POS-95b75b4d-1
0.429
BEN-DND-93268d01-4
0.429
ERI-UCB-5b47150d-4
0.429
MAK-UNK-372b0df5-3
0.429
ANU-UNK-2781581f-1
0.423
RED-SAT-26a928c9-1
0.423
MAK-UNK-f203cb68-3
0.423
NAU-LAT-0543f7f2-6
0.423
BEN-DND-6de5dfa0-3
0.423
NAU-LAT-3f5f3993-5
0.423
BEN-DND-6de5dfa0-5
0.423
EDG-MED-0da5ad92-9
0.423
BEN-DND-09b88bf4-3
0.423
ALE-HEI-f28a35b5-13
0.422
TRY-UNI-714a760b-12
0.420
JAG-UCB-cedd89ab-8
0.420
BEN-DND-6de5dfa0-6
0.419
RAL-THA-6b94ceba-6
0.419
DAR-DIA-0cde14eb-79
0.419
BEN-DND-09b88bf4-8
0.419
MAT-POS-c9973a83-1
0.419
MAT-POS-e501d84c-1
0.418
GAB-REV-70cc3ca5-12
0.418
NIR-THE-b7e8e081-1
0.417
BEN-DND-6de5dfa0-1
0.417
BEN-DND-03406596-7
0.417
BEN-DND-6de5dfa0-4
0.417
BEN-DND-09b88bf4-2
0.417
BEN-DND-09b88bf4-4
0.417
EDJ-MED-e58735b6-1
0.417
WIL-MOD-03b86a88-3
0.416
WIL-MOD-03b86a88-5
0.416
WAR-XCH-e55cba98-11
0.416
MAT-POS-590ac91e-16
0.415