Molecular Properties | |
SMILES: | CCc1nnc2c(=O)n(CC(=O)NCc3ccc(F)cc3)c3cccnc3n12 |
MW: | 380.14 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.18 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8769244667 |
MolPort: | MolPort-010-907-148 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-5
0.817
MAR-TRE-4b834d9a-4
0.807
MAR-TRE-3e4e6814-7
0.793
MAR-TRE-4b834d9a-14
0.759
MAR-TRE-4b834d9a-20
0.750
MAR-TRE-4b834d9a-10
0.708
MAR-TRE-74c6519b-7
0.700
MAR-TRE-4b834d9a-9
0.689
MAR-TRE-d0525fbf-41
0.685
MAR-TRE-74c6519b-9
0.667
MAR-TRE-b77b7921-4
0.659
MAR-TRE-b77b7921-22
0.637
MAR-TRE-74c6519b-6
0.629
MAR-TRE-b77b7921-3
0.620
MAR-TRE-4b834d9a-6
0.615
MAR-TRE-7f7bb9f0-7
0.609
MAR-TRE-3e4e6814-12
0.607
MAR-TRE-04c86cea-1
0.602
MAR-TRE-7f7bb9f0-34
0.600
MAR-TRE-4b834d9a-21
0.579
MAR-TRE-4b834d9a-87
0.574
MAR-TRE-b77b7921-2
0.558
MAR-TRE-d0525fbf-5
0.556
MAR-TRE-4b834d9a-18
0.542
MAR-TRE-04c86cea-73
0.542
MAR-TRE-4b834d9a-12
0.536
MAR-TRE-74c6519b-8
0.536
MAR-TRE-d0525fbf-4
0.535
MAR-TRE-7f7bb9f0-5
0.530
MAR-TRE-d0525fbf-7
0.530
MAR-TRE-74c6519b-10
0.521
MAR-TRE-4b834d9a-15
0.520
MAR-TRE-9c797165-45
0.516
MAR-TRE-4b834d9a-60
0.516
MAR-TRE-04c86cea-52
0.516
MAR-TRE-4b834d9a-37
0.515
MAR-TRE-b77b7921-7
0.515
MAR-TRE-b77b7921-54
0.505
MAR-TRE-f6f5f473-17
0.500
MAR-TRE-d0525fbf-37
0.490
MAR-TRE-9c797165-89
0.489
MAR-TRE-4b834d9a-84
0.489
MAR-TRE-b77b7921-23
0.485
MAR-TRE-04c86cea-63
0.485
MAR-TRE-74c6519b-73
0.484
MAR-TRE-9c797165-74
0.479
MAR-TRE-74c6519b-30
0.470
MAR-TRE-b77b7921-16
0.465
MAR-TRE-67513f76-94
0.463
MAR-TRE-4b834d9a-39
0.463
MAR-TRE-9c797165-15
0.462
MAR-TRE-3e4e6814-5
0.462
MAR-TRE-04c86cea-4
0.456
MAR-TRE-4b834d9a-35
0.455
MAR-TRE-4b834d9a-13
0.455
MAR-TRE-f6f5f473-66
0.454
MAR-TRE-b77b7921-61
0.453
MAR-TRE-74c6519b-71
0.449
MAR-TRE-04c86cea-2
0.447
MAR-TRE-4b834d9a-25
0.444
MAR-TRE-d0525fbf-1
0.442
MAR-TRE-74c6519b-27
0.440
MAR-TRE-b77b7921-93
0.440
MAR-TRE-3e4e6814-73
0.440
MAR-TRE-67513f76-11
0.436
MAR-TRE-4b834d9a-2
0.434
MAR-TRE-74c6519b-2
0.434
MAR-TRE-74c6519b-1
0.425
MAR-TRE-4b834d9a-5
0.423
MAR-TRE-3e4e6814-36
0.422
MAR-TRE-b77b7921-6
0.417
MAR-TRE-d0525fbf-70
0.413
MAR-TRE-f6f5f473-34
0.412
MAR-TRE-7f7bb9f0-70
0.411
MAR-TRE-3e4e6814-14
0.408
MAR-TRE-74c6519b-25
0.406
MAR-TRE-b77b7921-5
0.404
MAR-TRE-74c6519b-70
0.398
MAR-TRE-04c86cea-21
0.398
MAR-TRE-4b834d9a-3
0.398
MAR-TRE-f6f5f473-20
0.398
MAR-TRE-d0525fbf-68
0.396
MAR-TRE-4b834d9a-69
0.396
MAR-TRE-4b834d9a-33
0.396
MAR-TRE-b77b7921-11
0.396
MAR-TRE-d0525fbf-11
0.394
MAR-TRE-7f7bb9f0-9
0.394
MAR-TRE-f6f5f473-94
0.394
MAR-TRE-f6f5f473-43
0.390
MAR-TRE-4b834d9a-40
0.390
MAR-TRE-04c86cea-6
0.389
MAR-TRE-7f7bb9f0-29
0.386
MAR-TRE-4b834d9a-99
0.386
MAR-TRE-74c6519b-78
0.386
MAR-TRE-7f7bb9f0-3
0.385
MAR-TRE-7f7bb9f0-85
0.384
MAR-TRE-f6f5f473-88
0.383
MAR-TRE-3e4e6814-21
0.383
MAR-TRE-f6f5f473-62
0.382
MAR-TRE-4b834d9a-7
0.380