Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(C)CC2)c1 |
MW: | 377.25 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 5.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-27
0.787
DAR-DIA-0cde14eb-28
0.787
DAR-DIA-0cde14eb-26
0.778
DAR-DIA-0cde14eb-30
0.750
DAR-DIA-0cde14eb-20
0.616
DAR-DIA-0cde14eb-16
0.598
DAR-DIA-0cde14eb-10
0.553
DAR-DIA-0cde14eb-22
0.516
DAR-DIA-0cde14eb-19
0.511
DAR-DIA-0cde14eb-23
0.511
DAR-DIA-0cde14eb-18
0.511
DAR-DIA-0cde14eb-29
0.495
DAR-DIA-0cde14eb-17
0.495
DAR-DIA-0cde14eb-21
0.495
DAR-DIA-0cde14eb-71
0.483
DAR-DIA-0cde14eb-24
0.480
DAR-DIA-0cde14eb-12
0.478
DAR-DIA-0cde14eb-13
0.478
DAR-DIA-0cde14eb-11
0.478
DAR-DIA-0cde14eb-70
0.477
DAR-DIA-0cde14eb-15
0.462
TRY-UNI-714a760b-17
0.457
AHN-SAT-202241f6-1
0.457
DAR-DIA-0cde14eb-72
0.456
DAR-DIA-0cde14eb-73
0.456
TRY-UNI-2eddb1ff-5
0.453
JAN-GHE-83b26c96-5
0.453
TRY-UNI-714a760b-18
0.453
TRY-UNI-2eddb1ff-4
0.453
JAN-GHE-83b26c96-4
0.453
TRY-UNI-2eddb1ff-3
0.447
MAK-UNK-f203cb68-16
0.440
DAR-DIA-0cde14eb-75
0.436
TRY-UNI-2eddb1ff-8
0.429
TRY-UNI-714a760b-22
0.418
MAK-UNK-f203cb68-17
0.409
MAT-POS-590ac91e-1
0.405
ERI-UCB-5b47150d-1
0.405
MAT-POS-590ac91e-2
0.405
MAK-UNK-f203cb68-7
0.404
MAK-UNK-f203cb68-8
0.398
DAR-DIA-0cde14eb-5
0.391
BEN-DND-6de5dfa0-10
0.391
TRY-UNI-714a760b-16
0.391
MAT-POS-5d20d11c-1
0.386
MAT-POS-590ac91e-16
0.386
BEN-DND-93268d01-11
0.384
MAK-UNK-f203cb68-14
0.375
MAT-POS-590ac91e-13
0.373
DAR-DIA-0cde14eb-1
0.372
MAT-POS-590ac91e-5
0.372
MAK-UNK-f203cb68-21
0.369
ABI-SAT-4d06482b-1
0.368
BAR-COM-0f94fc3d-19
0.366
DAR-DIA-0cde14eb-65
0.366
JAN-GHE-83b26c96-10
0.362
MAK-UNK-f203cb68-15
0.361
MAK-UNK-f203cb68-6
0.356
ALE-HEI-f28a35b5-7
0.356
TRY-UNI-714a760b-11
0.356
MAK-UNK-f203cb68-4
0.356
BEN-DND-93268d01-14
0.356
EDG-MED-0da5ad92-5
0.355
JAN-GHE-83b26c96-9
0.355
MAK-UNK-f203cb68-5
0.353
MAK-UNK-f203cb68-22
0.352
MAT-POS-590ac91e-22
0.352
JAN-GHE-83b26c96-8
0.351
BEN-DND-93268d01-3
0.348
BEN-DND-93268d01-2
0.348
DAR-DIA-0cde14eb-66
0.347
MAK-UNK-f203cb68-19
0.347
MAT-POS-590ac91e-6
0.345
MAT-POS-590ac91e-21
0.344
BEN-DND-22e6b372-3
0.344
WAR-XCH-e55cba98-9
0.344
DAR-DIA-0cde14eb-61
0.344
DAR-DIA-0cde14eb-8
0.344
MAT-POS-1e5f28a7-1
0.344
MAK-UNK-902cc841-17
0.343
NAU-LAT-a5c7d7cb-3
0.343
VLA-UCB-05e51b3f-2
0.343
AAR-POS-d2a4d1df-3
0.342
MAK-UNK-6435e6c2-8
0.342
MAT-POS-590ac91e-9
0.341
ERI-UCB-5b47150d-6
0.341
NAU-LAT-3f5f3993-2
0.341
SAD-SAT-7d5528d9-26
0.340
TRY-UNI-9f475305-5
0.340
PET-SGC-01d224dd-1
0.340
MAK-UNK-6ca90168-27
0.338
EDG-MED-0da5ad92-3
0.337
MAT-POS-590ac91e-14
0.337
BEN-DND-22e6b372-4
0.337
DAR-DIA-0cde14eb-68
0.337
CHR-SOS-1f323c23-1
0.337
MIH-UNI-6b9ca91a-2
0.337
TRY-UNI-9f475305-4
0.337
MAT-POS-590ac91e-10
0.333
ALE-HEI-f28a35b5-17
0.333