Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cccc(C2(C)CC2)c1 |
MW: | 281.15 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 54.02 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-6
0.716
DAR-DIA-0cde14eb-8
0.716
DAR-DIA-0cde14eb-7
0.716
DAR-DIA-0cde14eb-9
0.696
JAG-UCB-cedd89ab-8
0.597
TRY-UNI-714a760b-12
0.597
TRY-UNI-714a760b-24
0.586
DAR-DIA-0cde14eb-50
0.579
DAR-DIA-0cde14eb-35
0.577
DAR-DIA-0cde14eb-1
0.554
TRY-UNI-714a760b-4
0.554
ALE-HEI-f28a35b5-1
0.554
DAR-DIA-0cde14eb-10
0.553
DAR-DIA-0cde14eb-20
0.543
DAR-DIA-0cde14eb-65
0.507
DAR-DIA-0cde14eb-69
0.487
DAR-DIA-0cde14eb-68
0.487
CHR-SOS-363cfb78-2
0.486
DAR-DIA-0cde14eb-66
0.481
DAR-DIA-0cde14eb-67
0.481
MAK-UNK-129dcd6f-9
0.463
DAR-DIA-0cde14eb-22
0.460
DAR-DIA-0cde14eb-24
0.456
DAR-DIA-0cde14eb-23
0.455
DAR-DIA-0cde14eb-21
0.455
JAN-GHE-83b26c96-20
0.449
EDG-MED-0da5ad92-11
0.449
WAR-XCH-e55cba98-9
0.438
MAK-UNK-129dcd6f-15
0.438
DAR-DIA-0cde14eb-2
0.432
DAR-DIA-0cde14eb-14
0.429
DAR-DIA-0cde14eb-3
0.427
DAR-DIA-0cde14eb-4
0.427
MAT-POS-590ac91e-15
0.427
ALE-HEI-f28a35b5-2
0.425
AAR-POS-d2a4d1df-3
0.419
MAK-UNK-6435e6c2-8
0.419
DAR-DIA-0cde14eb-15
0.419
CHR-SOS-1f323c23-10
0.418
MAK-UNK-129dcd6f-4
0.417
DAR-DIA-0cde14eb-11
0.417
DAR-DIA-0cde14eb-12
0.417
DAR-DIA-0cde14eb-13
0.417
TRY-UNI-1fd04853-2
0.415
BAR-COM-0f94fc3d-25
0.415
CHR-SOS-6c45c019-11
0.415
CHR-SOS-6c45c019-5
0.412
MAK-UNK-129dcd6f-18
0.412
SAM-UNK-2684b532-8
0.412
MAT-POS-590ac91e-6
0.411
CHR-SOS-1f323c23-11
0.409
ALE-HEI-f28a35b5-13
0.408
CHR-SOS-1f323c23-7
0.407
DAR-DIA-0cde14eb-51
0.407
DAR-DIA-0cde14eb-52
0.407
DAR-DIA-0cde14eb-53
0.407
ASH-SAT-43770c7d-9
0.406
TRY-UNI-714a760b-11
0.405
ALE-HEI-f28a35b5-7
0.405
MAT-POS-590ac91e-9
0.405
CHR-SOS-6c45c019-10
0.405
CHR-SOS-6c45c019-8
0.405
CHR-SOS-1f323c23-4
0.402
CHR-SOS-6c45c019-12
0.402
CHR-SOS-6c45c019-4
0.402
CHR-SOS-1f323c23-8
0.400
CHR-SOS-363cfb78-7
0.400
CHR-SOS-6c45c019-6
0.400
CHR-SOS-6c45c019-16
0.400
DAR-DIA-0cde14eb-54
0.398
CHR-SOS-6c45c019-14
0.398
DAR-DIA-0cde14eb-36
0.398
DAR-DIA-0cde14eb-38
0.398
DAR-DIA-0cde14eb-37
0.398
MAT-POS-590ac91e-27
0.397
CHR-SOS-1f323c23-5
0.396
CHR-SOS-6c45c019-7
0.395
MAT-POS-590ac91e-26
0.395
CHR-SOS-e960e883-6
0.393
CHR-SOS-1f323c23-1
0.393
CHR-SOS-6c45c019-9
0.393
DAR-DIA-0cde14eb-25
0.391
CHR-SOS-6c45c019-15
0.391
DAR-DIA-0cde14eb-16
0.389
DAR-DIA-0cde14eb-39
0.389
MAK-UNK-129dcd6f-16
0.388
MAK-UNK-6ca90168-27
0.388
CHR-SOS-1f323c23-2
0.387
AHN-SAT-202241f6-1
0.387
TRY-UNI-714a760b-17
0.387
CHR-SOS-6c45c019-2
0.386
MAT-POS-590ac91e-1
0.386
MAT-POS-590ac91e-2
0.386
ERI-UCB-5b47150d-1
0.386
SIM-DEM-f31d0e65-1
0.386
ALP-POS-95b75b4d-4
0.386
MAK-UNK-129dcd6f-12
0.386
JAN-GHE-83b26c96-13
0.385
CHR-SOS-e960e883-5
0.385
NAU-LAT-3f5f3993-2
0.385