Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCC3CC3)c3cccnc3n12 |
MW: | 312.13 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 0.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4376383531 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-b77b7921-16
0.875
MAR-TRE-9c797165-45
0.730
MAR-TRE-67513f76-94
0.720
MAR-TRE-9c797165-74
0.714
MAR-TRE-74c6519b-71
0.692
MAR-TRE-3e4e6814-12
0.684
MAR-TRE-9c797165-15
0.680
MAR-TRE-b77b7921-93
0.675
MAR-TRE-74c6519b-6
0.667
MAR-TRE-74c6519b-10
0.659
MAR-TRE-b77b7921-4
0.659
MAR-TRE-4b834d9a-14
0.659
MAR-TRE-b77b7921-22
0.655
MAR-TRE-4b834d9a-6
0.651
MAR-TRE-4b834d9a-37
0.651
MAR-TRE-9c797165-89
0.646
MAR-TRE-b77b7921-2
0.643
MAR-TRE-7f7bb9f0-7
0.643
MAR-TRE-74c6519b-8
0.635
MAR-TRE-b77b7921-3
0.635
MAR-TRE-4b834d9a-12
0.635
MAR-TRE-04c86cea-1
0.635
MAR-TRE-4b834d9a-15
0.635
MAR-TRE-b77b7921-23
0.628
MAR-TRE-4b834d9a-21
0.628
MAR-TRE-7f7bb9f0-5
0.625
MAR-TRE-b77b7921-61
0.618
MAR-TRE-d0525fbf-4
0.614
MAR-TRE-3e4e6814-36
0.607
MAR-TRE-d0525fbf-7
0.607
MAR-TRE-d0525fbf-5
0.600
MAR-TRE-7f7bb9f0-29
0.585
MAR-TRE-7f7bb9f0-34
0.578
MAR-TRE-3e4e6814-7
0.505
MAR-TRE-74c6519b-9
0.505
MAR-TRE-74c6519b-5
0.495
MAR-TRE-4b834d9a-11
0.489
MAR-TRE-74c6519b-7
0.474
MAR-TRE-d0525fbf-41
0.474
MAR-TRE-4b834d9a-4
0.474
MAR-TRE-4b834d9a-20
0.469
MAR-TRE-4b834d9a-9
0.464
MAR-TRE-4b834d9a-10
0.464
MAR-TRE-f6f5f473-53
0.446
MAR-TRE-4b834d9a-87
0.438
MAR-TRE-b77b7921-59
0.421
MAR-TRE-67513f76-91
0.417
MAR-TRE-3e4e6814-60
0.400
MAR-TRE-7f7bb9f0-39
0.393
MAR-TRE-67513f76-2
0.391
MAR-TRE-b77b7921-29
0.390
MAR-TRE-67513f76-27
0.387
MAR-TRE-67513f76-62
0.386
MAR-TRE-3e4e6814-5
0.385
MAR-TRE-74c6519b-78
0.383
MAR-TRE-74c6519b-27
0.381
MAR-TRE-74c6519b-73
0.376
MAR-TRE-04c86cea-6
0.373
MAR-TRE-4b834d9a-39
0.372
MAR-TRE-b77b7921-54
0.366
MAR-TRE-7f7bb9f0-17
0.366
MAR-TRE-7f7bb9f0-85
0.366
MAR-TRE-f6f5f473-66
0.365
MAR-TRE-b77b7921-11
0.365
MAR-TRE-4b834d9a-8
0.365
MAR-TRE-3e4e6814-14
0.364
MAR-TRE-b77b7921-7
0.362
MAR-TRE-04c86cea-27
0.362
MAR-TRE-67513f76-18
0.362
MAR-TRE-4b834d9a-7
0.362
MAR-TRE-b77b7921-19
0.361
MAR-TRE-74c6519b-25
0.361
MAR-TRE-d0525fbf-43
0.361
MAR-TRE-74c6519b-75
0.361
MAR-TRE-4b834d9a-2
0.361
MAR-TRE-f6f5f473-43
0.360
MAR-TRE-04c86cea-4
0.359
MAR-TRE-b77b7921-8
0.358
MAR-TRE-4b834d9a-40
0.358
MAR-TRE-4b834d9a-55
0.358
MAR-TRE-4b834d9a-95
0.358
MAR-TRE-74c6519b-3
0.357
MAR-TRE-4b834d9a-25
0.357
MAR-TRE-4b834d9a-13
0.356
MAR-TRE-4b834d9a-61
0.356
MAR-TRE-b77b7921-10
0.355
MAR-TRE-4b834d9a-99
0.354
MAR-TRE-4b834d9a-3
0.354
MAR-TRE-d0525fbf-28
0.354
MAR-TRE-04c86cea-73
0.353
MAR-TRE-f6f5f473-88
0.353
MAR-TRE-74c6519b-60
0.353
MAR-TRE-4b834d9a-18
0.353
MAR-TRE-7f7bb9f0-9
0.352
MAR-TRE-4b834d9a-33
0.351
MAR-TRE-04c86cea-56
0.350
MAR-TRE-b77b7921-26
0.349
MAR-TRE-b77b7921-5
0.349
MAR-TRE-f6f5f473-82
0.347
MAR-TRE-d0525fbf-23
0.347