Molecular Properties | |
SMILES: | CCc1nnc2c(=O)n(CC(=O)NCc3ccccc3F)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-2919345380 |
MolPort: | MolPort-010-907-149 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-9
0.767
MAR-TRE-4b834d9a-15
0.756
MAR-TRE-3e4e6814-7
0.693
MAR-TRE-4b834d9a-11
0.689
MAR-TRE-d0525fbf-41
0.670
MAR-TRE-4b834d9a-4
0.670
MAR-TRE-4b834d9a-20
0.660
MAR-TRE-74c6519b-5
0.659
MAR-TRE-74c6519b-7
0.649
MAR-TRE-4b834d9a-10
0.638
MAR-TRE-4b834d9a-33
0.625
MAR-TRE-4b834d9a-99
0.614
MAR-TRE-b77b7921-22
0.606
MAR-TRE-74c6519b-10
0.591
MAR-TRE-7f7bb9f0-34
0.588
MAR-TRE-4b834d9a-87
0.579
MAR-TRE-d0525fbf-4
0.571
MAR-TRE-7f7bb9f0-5
0.550
MAR-TRE-04c86cea-74
0.540
MAR-TRE-04c86cea-45
0.531
MAR-TRE-d0525fbf-7
0.520
MAR-TRE-7f7bb9f0-7
0.515
MAR-TRE-3e4e6814-12
0.510
MAR-TRE-4b834d9a-14
0.510
MAR-TRE-b77b7921-4
0.510
MAR-TRE-f6f5f473-12
0.510
MAR-TRE-4b834d9a-54
0.505
MAR-TRE-b77b7921-23
0.505
MAR-TRE-d0525fbf-3
0.495
MAR-TRE-4b834d9a-21
0.490
MAR-TRE-4b834d9a-37
0.490
MAR-TRE-4b834d9a-6
0.490
MAR-TRE-9c797165-45
0.489
MAR-TRE-d0525fbf-5
0.486
MAR-TRE-f6f5f473-26
0.485
MAR-TRE-b77b7921-2
0.485
MAR-TRE-74c6519b-6
0.485
MAR-TRE-74c6519b-8
0.480
MAR-TRE-b77b7921-3
0.480
MAR-TRE-9c797165-74
0.469
MAR-TRE-4b834d9a-12
0.466
MAR-TRE-04c86cea-1
0.466
MAR-TRE-9c797165-89
0.464
MAR-TRE-4b834d9a-84
0.464
MAR-TRE-74c6519b-78
0.464
MAR-TRE-4b834d9a-95
0.454
MAR-TRE-b77b7921-29
0.452
MAR-TRE-b77b7921-16
0.441
MAR-TRE-d0525fbf-43
0.440
MAR-TRE-67513f76-94
0.439
MAR-TRE-4b834d9a-55
0.439
MAR-TRE-9c797165-15
0.438
MAR-TRE-4b834d9a-8
0.430
MAR-TRE-7f7bb9f0-9
0.426
MAR-TRE-74c6519b-71
0.426
MAR-TRE-3159af1a-5
0.422
MAR-TRE-b77b7921-61
0.418
MAR-TRE-b77b7921-93
0.417
MAR-TRE-3e4e6814-36
0.413
MAR-TRE-d0525fbf-11
0.400
MAR-TRE-b77b7921-27
0.398
MAR-TRE-74c6519b-86
0.398
MAR-TRE-3e4e6814-5
0.394
MAR-TRE-9c797165-25
0.393
MAR-TRE-d0525fbf-38
0.391
MAR-TRE-d0525fbf-28
0.390
MAR-TRE-7f7bb9f0-85
0.390
MAR-TRE-b77b7921-54
0.390
MAR-TRE-04c86cea-12
0.384
MAR-TRE-b77b7921-19
0.383
MAR-TRE-4b834d9a-40
0.382
MAR-TRE-4b834d9a-36
0.382
MAR-TRE-4b834d9a-25
0.381
MAR-TRE-f6f5f473-68
0.380
MAR-TRE-74c6519b-27
0.377
MAR-TRE-04c86cea-69
0.377
MAR-TRE-7f7bb9f0-17
0.376
MAR-TRE-d0525fbf-21
0.376
MAR-TRE-4b834d9a-76
0.376
MAR-TRE-b77b7921-20
0.375
MAR-TRE-74c6519b-73
0.373
MAR-TRE-4b834d9a-7
0.373
MAR-TRE-74c6519b-25
0.371
MAR-TRE-4b834d9a-2
0.371
MAR-TRE-d0525fbf-23
0.370
MAR-TRE-67513f76-27
0.369
MAR-TRE-4b834d9a-13
0.367
MAR-TRE-4b834d9a-61
0.367
MAR-TRE-3e4e6814-19
0.366
MAR-TRE-7f7bb9f0-29
0.365
MAR-TRE-d0525fbf-2
0.365
MAR-TRE-3e4e6814-90
0.364
MAR-TRE-b77b7921-11
0.362
MAR-TRE-4b834d9a-85
0.361
MAR-TRE-7f7bb9f0-22
0.360
MAR-TRE-7f7bb9f0-39
0.360
MAR-TRE-04c86cea-9
0.360
MAR-TRE-3e4e6814-4
0.360
MAR-TRE-67513f76-2
0.359
MAR-TRE-04c86cea-4
0.357