Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCc3ccccc3F)c3cccnc3n12 |
MW: | 366.12 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5072708723 |
MolPort: | MolPort-010-907-075 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-10
0.768
MAR-TRE-d0525fbf-4
0.756
MAR-TRE-4b834d9a-9
0.756
MAR-TRE-7f7bb9f0-5
0.727
MAR-TRE-3e4e6814-12
0.690
MAR-TRE-d0525fbf-7
0.689
MAR-TRE-4b834d9a-14
0.686
MAR-TRE-b77b7921-23
0.674
MAR-TRE-9c797165-45
0.671
MAR-TRE-7f7bb9f0-7
0.670
MAR-TRE-4b834d9a-6
0.659
MAR-TRE-4b834d9a-37
0.659
MAR-TRE-4b834d9a-21
0.656
MAR-TRE-74c6519b-6
0.655
MAR-TRE-b77b7921-2
0.652
MAR-TRE-b77b7921-4
0.648
MAR-TRE-d0525fbf-5
0.645
MAR-TRE-74c6519b-8
0.644
MAR-TRE-b77b7921-3
0.644
MAR-TRE-9c797165-74
0.640
MAR-TRE-4b834d9a-84
0.635
MAR-TRE-4b834d9a-99
0.635
MAR-TRE-4b834d9a-33
0.628
MAR-TRE-4b834d9a-12
0.626
MAR-TRE-04c86cea-1
0.626
MAR-TRE-9c797165-15
0.607
MAR-TRE-74c6519b-9
0.602
MAR-TRE-b77b7921-16
0.600
MAR-TRE-67513f76-94
0.586
MAR-TRE-9c797165-89
0.580
MAR-TRE-04c86cea-74
0.573
MAR-TRE-74c6519b-71
0.567
MAR-TRE-3e4e6814-36
0.565
MAR-TRE-b77b7921-93
0.554
MAR-TRE-04c86cea-45
0.548
MAR-TRE-b77b7921-61
0.545
MAR-TRE-f6f5f473-12
0.542
MAR-TRE-4b834d9a-54
0.537
MAR-TRE-3e4e6814-7
0.521
MAR-TRE-4b834d9a-11
0.520
MAR-TRE-7f7bb9f0-29
0.511
MAR-TRE-d0525fbf-3
0.510
MAR-TRE-4b834d9a-20
0.500
MAR-TRE-f6f5f473-26
0.500
MAR-TRE-74c6519b-5
0.495
MAR-TRE-74c6519b-7
0.490
MAR-TRE-4b834d9a-4
0.490
MAR-TRE-d0525fbf-41
0.490
MAR-TRE-b77b7921-29
0.480
MAR-TRE-74c6519b-78
0.479
MAR-TRE-4b834d9a-10
0.466
MAR-TRE-4b834d9a-95
0.453
MAR-TRE-4b834d9a-55
0.453
MAR-TRE-b77b7921-22
0.451
MAR-TRE-4b834d9a-8
0.443
MAR-TRE-d0525fbf-43
0.439
MAR-TRE-7f7bb9f0-9
0.438
MAR-TRE-7f7bb9f0-34
0.438
MAR-TRE-74c6519b-86
0.437
MAR-TRE-d0525fbf-38
0.415
MAR-TRE-4b834d9a-87
0.413
MAR-TRE-d0525fbf-11
0.411
MAR-TRE-b77b7921-27
0.410
MAR-TRE-04c86cea-12
0.407
MAR-TRE-3e4e6814-5
0.406
MAR-TRE-3159af1a-5
0.406
MAR-TRE-f6f5f473-68
0.404
MAR-TRE-d0525fbf-28
0.402
MAR-TRE-74c6519b-27
0.402
MAR-TRE-d0525fbf-21
0.400
MAR-TRE-4b834d9a-76
0.400
MAR-TRE-b77b7921-20
0.398
MAR-TRE-4b834d9a-2
0.396
MAR-TRE-b77b7921-19
0.393
MAR-TRE-4b834d9a-36
0.393
MAR-TRE-4b834d9a-25
0.392
MAR-TRE-9c797165-25
0.390
MAR-TRE-04c86cea-69
0.388
MAR-TRE-7f7bb9f0-17
0.388
MAR-TRE-7f7bb9f0-85
0.388
MAR-TRE-4b834d9a-18
0.387
MAR-TRE-04c86cea-73
0.387
MAR-TRE-b77b7921-11
0.386
MAR-TRE-3e4e6814-14
0.385
MAR-TRE-4b834d9a-7
0.384
MAR-TRE-74c6519b-73
0.384
MAR-TRE-67513f76-2
0.384
MAR-TRE-7f7bb9f0-22
0.383
MAR-TRE-74c6519b-25
0.382
MAR-TRE-3e4e6814-4
0.382
MAR-TRE-d0525fbf-23
0.381
MAR-TRE-67513f76-27
0.380
MAR-TRE-4b834d9a-40
0.380
MAR-TRE-04c86cea-70
0.380
MAR-TRE-4b834d9a-13
0.377
MAR-TRE-4b834d9a-61
0.377
MAR-TRE-3e4e6814-19
0.376
MAR-TRE-d0525fbf-2
0.375
MAR-TRE-b77b7921-54
0.374
MAR-TRE-f6f5f473-66
0.373