Molecule Details
| Molecular Properties | |
| SMILES: | COCC(C(=O)Nc1cnccc1C)c1ccccc1 |
| MW: | 270.14 |
| Fraction sp3: | 0.25 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 51.22 |
| cLogP: | 2.76 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-93268d01-3
0.729
DAN-RED-da448e80-1
0.657
DRE-WAB-eb790b7a-1
0.657
PED-UNI-5b7f1100-1
0.657
PED-UNI-8d53fd73-1
0.657
AHN-SAT-202241f6-1
0.587
TRY-UNI-714a760b-17
0.587
ABI-SAT-4d06482b-1
0.578
SAM-UNK-2684b532-10
0.573
BEN-DND-93268d01-14
0.552
ERI-UCB-5b47150d-1
0.550
MAT-POS-590ac91e-2
0.550
MAT-POS-590ac91e-1
0.550
EDG-MED-0da5ad92-5
0.521
DAN-RED-da448e80-13
0.513
ADA-UCB-6c2cb422-9
0.512
SAM-UNK-2684b532-1
0.507
DAN-RED-da448e80-5
0.487
DAN-RED-da448e80-9
0.487
JAN-GHE-83b26c96-8
0.487
TRY-UNI-714a760b-5
0.485
MAT-POS-590ac91e-13
0.477
DAN-RED-da448e80-17
0.474
BAR-COM-0f94fc3d-19
0.473
ALE-HEI-f28a35b5-1
0.470
MAT-POS-5d20d11c-1
0.470
MAT-POS-590ac91e-16
0.470
TRY-UNI-714a760b-4
0.470
MAK-UNK-f203cb68-3
0.468
JAN-GHE-83b26c96-4
0.466
TRY-UNI-2eddb1ff-5
0.466
JAN-GHE-83b26c96-5
0.466
TRY-UNI-2eddb1ff-4
0.466
TRY-UNI-714a760b-18
0.466
MAT-POS-1e5f28a7-1
0.461
MAT-POS-590ac91e-5
0.449
AAR-POS-d2a4d1df-3
0.448
MAK-UNK-6435e6c2-8
0.448
BEN-DND-93268d01-13
0.444
PET-SGC-d5b502b1-1
0.443
WIL-WAB-6ef46ddb-1
0.443
JAN-GHE-83b26c96-9
0.440
ALP-POS-90c18d1d-1
0.439
ALP-POS-3fc1724e-6
0.438
MAK-UNK-f203cb68-1
0.435
ALE-HEI-f28a35b5-13
0.433
ASH-SAT-43770c7d-9
0.431
MAK-UNK-6ca90168-26
0.429
JAN-GHE-83b26c96-10
0.429
EDJ-MED-e58735b6-1
0.427
EDJ-MED-e58735b6-2
0.425
TRY-UNI-714a760b-22
0.423
CHR-SOS-1f323c23-10
0.421
ALP-POS-95b75b4d-1
0.419
TRY-UNI-2eddb1ff-3
0.419
MAT-POS-590ac91e-14
0.419
SAM-UNK-2684b532-3
0.417
TRY-UNI-9f475305-3
0.417
MAT-POS-590ac91e-10
0.417
MAT-POS-590ac91e-6
0.414
MAK-UNK-6ca90168-27
0.413
CHR-SOS-1f323c23-1
0.412
MAT-POS-590ac91e-11
0.412
ALE-HEI-f28a35b5-11
0.411
JOH-UNI-abfda500-6
0.411
ANN-UNI-98d2bf15-1
0.411
TRY-UNI-714a760b-16
0.411
BEN-DND-6de5dfa0-10
0.411
CHR-SOS-1f323c23-7
0.410
MAT-POS-590ac91e-9
0.408
DAR-DIA-0cde14eb-10
0.407
WAR-XCH-e55cba98-11
0.407
JAN-GHE-83b26c96-13
0.405
TRY-UNI-714a760b-6
0.405
ALP-POS-95b75b4d-2
0.405
ALP-POS-95b75b4d-4
0.405
CHR-SOS-1f323c23-4
0.405
MAK-UNK-f203cb68-19
0.405
DAR-DIA-0cde14eb-11
0.402
DAR-DIA-0cde14eb-12
0.402
DAR-DIA-0cde14eb-13
0.402
VLA-UCB-05e51b3f-2
0.400
BEN-DND-93268d01-4
0.400
JAN-GHE-83b26c96-12
0.400
NAU-LAT-a5c7d7cb-3
0.400
BAR-COM-0f94fc3d-58
0.400
DAR-DIA-0cde14eb-73
0.395
ALP-POS-3fc1724e-7
0.394
DAR-DIA-0cde14eb-78
0.392
MAR-UNA-df66f71a-1
0.392
ALE-HEI-f28a35b5-12
0.391
BEN-DND-93268d01-7
0.390
ALE-HEI-f28a35b5-7
0.389
TRY-UNI-714a760b-11
0.389
BEN-DND-93268d01-15
0.389
MAT-POS-590ac91e-7
0.389
DAR-DIA-0cde14eb-15
0.388
MAK-UNK-129dcd6f-15
0.388
ANN-UNI-98d2bf15-5
0.388
TRY-UNI-2eddb1ff-8
0.386