Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(C)c1cnn(C2(C)CC2)c1 |
MW: | 284.16 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-72
0.750
DAR-DIA-0cde14eb-73
0.750
DAR-DIA-0cde14eb-71
0.739
DAR-DIA-0cde14eb-75
0.708
DAR-DIA-0cde14eb-61
0.560
DAR-DIA-0cde14eb-65
0.554
DAR-DIA-0cde14eb-10
0.538
AHN-SAT-202241f6-1
0.536
TRY-UNI-714a760b-17
0.536
DAR-DIA-0cde14eb-11
0.512
DAR-DIA-0cde14eb-12
0.512
DAR-DIA-0cde14eb-13
0.512
TRY-UNI-2eddb1ff-5
0.507
JAN-GHE-83b26c96-4
0.507
TRY-UNI-2eddb1ff-4
0.507
TRY-UNI-714a760b-18
0.507
JAN-GHE-83b26c96-5
0.507
TRY-UNI-2eddb1ff-3
0.500
DAR-DIA-0cde14eb-15
0.494
TRY-UNI-714a760b-22
0.481
DAR-DIA-0cde14eb-25
0.477
MAK-UNK-f203cb68-16
0.469
MAT-POS-590ac91e-1
0.456
MAT-POS-590ac91e-2
0.456
ERI-UCB-5b47150d-1
0.456
DAR-DIA-0cde14eb-27
0.456
DAR-DIA-0cde14eb-28
0.456
MAK-UNK-f203cb68-17
0.451
MAT-POS-590ac91e-16
0.451
MAT-POS-5d20d11c-1
0.451
DAR-DIA-0cde14eb-26
0.451
DAR-DIA-0cde14eb-67
0.450
TRY-UNI-2eddb1ff-8
0.438
DAR-DIA-0cde14eb-68
0.438
MAT-POS-590ac91e-13
0.437
DAR-DIA-0cde14eb-30
0.436
BEN-DND-6de5dfa0-10
0.434
MAT-POS-590ac91e-5
0.432
DAR-DIA-0cde14eb-66
0.432
MAK-UNK-f203cb68-14
0.429
MAK-UNK-f203cb68-7
0.427
ABI-SAT-4d06482b-1
0.427
DAR-DIA-0cde14eb-69
0.422
BEN-DND-93268d01-3
0.421
MAK-UNK-f203cb68-8
0.420
TRY-UNI-714a760b-16
0.416
MAK-UNK-f203cb68-15
0.412
BEN-DND-93268d01-14
0.410
DAR-DIA-0cde14eb-64
0.410
MAT-POS-590ac91e-22
0.408
MAK-UNK-902cc841-17
0.407
MAK-UNK-6435e6c2-8
0.406
AAR-POS-d2a4d1df-3
0.406
DAR-DIA-0cde14eb-62
0.405
DAR-DIA-0cde14eb-63
0.405
MAK-UNK-f203cb68-6
0.404
MAK-UNK-f203cb68-21
0.402
MAK-UNK-f203cb68-5
0.400
MAT-POS-590ac91e-6
0.400
MIH-UNI-6b9ca91a-2
0.398
MAT-POS-590ac91e-21
0.397
MAK-UNK-902cc841-15
0.395
DAR-DIA-0cde14eb-74
0.391
JAN-GHE-83b26c96-9
0.390
EDG-MED-0da5ad92-5
0.390
MAT-POS-590ac91e-14
0.388
MAK-UNK-f203cb68-4
0.387
MAT-POS-590ac91e-26
0.385
MAT-POS-590ac91e-4
0.385
ERI-UCB-5b47150d-4
0.384
MAK-UNK-f203cb68-22
0.383
BEN-DND-93268d01-2
0.383
MAT-POS-590ac91e-18
0.382
MAT-POS-590ac91e-19
0.382
JAN-GHE-83b26c96-10
0.381
MAR-TRE-67513f76-79
0.381
TRY-UNI-9f475305-4
0.380
MAT-POS-590ac91e-8
0.380
MAT-POS-590ac91e-15
0.380
MAT-POS-590ac91e-11
0.378
MAK-UNK-f203cb68-19
0.378
MAK-UNK-6ca90168-27
0.377
MAT-POS-590ac91e-9
0.377
TRY-UNI-714a760b-11
0.377
ALE-HEI-f28a35b5-7
0.377
ERI-UCB-5b47150d-6
0.377
ASH-SAT-43770c7d-9
0.375
NAU-LAT-3f5f3993-2
0.375
VLA-UCB-05e51b3f-2
0.374
NAU-LAT-a5c7d7cb-3
0.374
CHR-SOS-1f323c23-10
0.373
DAN-RED-da448e80-17
0.372
MAT-POS-590ac91e-12
0.372
DAR-DIA-6a508060-12
0.372
MAK-UNK-6ca90168-26
0.371
BAR-COM-0f94fc3d-19
0.369
ALE-HEI-f28a35b5-17
0.368
SCO-VAN-260d9628-1
0.368
MAT-POS-590ac91e-24
0.367
MAT-POS-590ac91e-10
0.367