Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(C)c1cc(N2CCCCC2)cc(C2(F)CC2)c1 |
MW: | 381.22 |
Fraction sp3: | 0.48 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 5.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-25
0.787
DAR-DIA-0cde14eb-28
0.778
DAR-DIA-0cde14eb-26
0.768
DAR-DIA-0cde14eb-30
0.741
DAR-DIA-0cde14eb-22
0.632
DAR-DIA-0cde14eb-18
0.607
DAR-DIA-0cde14eb-12
0.558
DAR-DIA-0cde14eb-20
0.505
DAR-DIA-0cde14eb-23
0.505
DAR-DIA-0cde14eb-21
0.490
DAR-DIA-0cde14eb-19
0.490
DAR-DIA-0cde14eb-16
0.489
DAR-DIA-0cde14eb-72
0.483
DAR-DIA-0cde14eb-71
0.478
DAR-DIA-0cde14eb-10
0.478
DAR-DIA-0cde14eb-24
0.475
DAR-DIA-0cde14eb-17
0.474
DAR-DIA-0cde14eb-11
0.473
DAR-DIA-0cde14eb-13
0.473
JAN-GHE-83b26c96-4
0.465
JAN-GHE-83b26c96-5
0.465
TRY-UNI-2eddb1ff-4
0.465
TRY-UNI-714a760b-18
0.465
TRY-UNI-2eddb1ff-5
0.465
DAR-DIA-0cde14eb-29
0.460
DAR-DIA-0cde14eb-15
0.457
DAR-DIA-0cde14eb-70
0.456
TRY-UNI-714a760b-17
0.451
AHN-SAT-202241f6-1
0.451
DAR-DIA-0cde14eb-73
0.451
TRY-UNI-2eddb1ff-3
0.442
MAK-UNK-f203cb68-16
0.435
DAR-DIA-0cde14eb-75
0.432
TRY-UNI-714a760b-22
0.429
TRY-UNI-2eddb1ff-8
0.424
MAK-UNK-f203cb68-17
0.419
MAT-POS-590ac91e-2
0.400
ERI-UCB-5b47150d-1
0.400
MAT-POS-590ac91e-1
0.400
MAK-UNK-f203cb68-7
0.400
DAR-DIA-0cde14eb-7
0.398
MAT-POS-5d20d11c-1
0.398
MAT-POS-590ac91e-16
0.398
MAK-UNK-f203cb68-8
0.394
TRY-UNI-714a760b-16
0.386
BEN-DND-6de5dfa0-10
0.386
BEN-DND-93268d01-11
0.379
DAR-DIA-0cde14eb-2
0.379
MAK-UNK-f203cb68-21
0.379
MAK-UNK-f203cb68-22
0.375
JAN-GHE-83b26c96-10
0.372
MAK-UNK-f203cb68-15
0.371
BEN-DND-22e6b372-3
0.370
MAT-POS-590ac91e-13
0.369
MAT-POS-590ac91e-5
0.368
EDG-MED-0da5ad92-5
0.366
JAN-GHE-83b26c96-9
0.366
MAK-UNK-f203cb68-4
0.365
ABI-SAT-4d06482b-1
0.364
BEN-DND-22e6b372-4
0.363
BAR-COM-0f94fc3d-19
0.362
JAN-GHE-83b26c96-8
0.361
MAK-UNK-f203cb68-14
0.357
MAK-UNK-f203cb68-19
0.356
MAT-POS-1e5f28a7-1
0.354
NAU-LAT-a5c7d7cb-3
0.353
VLA-UCB-05e51b3f-2
0.353
MAK-UNK-f203cb68-6
0.353
ALE-HEI-f28a35b5-7
0.352
TRY-UNI-714a760b-11
0.352
ERI-UCB-5b47150d-6
0.352
BEN-DND-93268d01-14
0.352
MAK-UNK-f203cb68-5
0.350
SAD-SAT-7d5528d9-7
0.350
PET-SGC-01d224dd-1
0.349
TRY-UNI-9f475305-5
0.349
MAT-POS-590ac91e-22
0.348
EDG-MED-0da5ad92-3
0.348
TRY-UNI-9f475305-4
0.346
BEN-DND-93268d01-3
0.344
BEN-DND-93268d01-2
0.344
DAR-DIA-0cde14eb-67
0.344
SAM-UNK-2684b532-10
0.343
MAK-UNK-f203cb68-20
0.343
MAT-POS-590ac91e-6
0.341
MAT-POS-590ac91e-21
0.341
DAR-DIA-0cde14eb-8
0.340
WAR-XCH-e55cba98-9
0.340
MAK-UNK-902cc841-17
0.340
DAR-DIA-0cde14eb-42
0.340
AAR-POS-d2a4d1df-3
0.338
MAK-UNK-6435e6c2-8
0.338
MAT-POS-590ac91e-9
0.337
NAU-LAT-3f5f3993-2
0.337
MAK-UNK-f203cb68-3
0.337
SAD-SAT-7d5528d9-26
0.337
DAR-DIA-0cde14eb-57
0.337
MAT-POS-590ac91e-14
0.333
JAN-GHE-83b26c96-20
0.333
MIH-UNI-6b9ca91a-2
0.333