Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2nncn2c2ncccc21)NCc1cc(F)ccc1F |
MW: | 370.1 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6429248207 |
MolPort: | MolPort-010-907-016 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-d0525fbf-11
0.770
MAR-TRE-b77b7921-29
0.659
MAR-TRE-4b834d9a-13
0.656
MAR-TRE-74c6519b-27
0.640
MAR-TRE-4b834d9a-61
0.637
MAR-TRE-7f7bb9f0-5
0.632
MAR-TRE-04c86cea-4
0.600
MAR-TRE-7f7bb9f0-22
0.557
MAR-TRE-4b834d9a-36
0.551
MAR-TRE-3e4e6814-19
0.545
MAR-TRE-3e4e6814-4
0.535
MAR-TRE-74c6519b-16
0.535
MAR-TRE-3e4e6814-76
0.526
MAR-TRE-7f7bb9f0-1
0.519
MAR-TRE-d0525fbf-7
0.476
MAR-TRE-d0525fbf-4
0.467
MAR-TRE-4b834d9a-15
0.438
MAR-TRE-4b834d9a-99
0.434
MAR-TRE-4b834d9a-33
0.430
MAR-TRE-4b834d9a-9
0.426
MAR-TRE-4b834d9a-21
0.421
MAR-TRE-4b834d9a-2
0.412
MAR-TRE-4b834d9a-55
0.410
MAR-TRE-4b834d9a-95
0.410
MAR-TRE-4b834d9a-14
0.410
MAR-TRE-4b834d9a-25
0.408
MAR-TRE-b77b7921-43
0.407
MAR-TRE-d0525fbf-5
0.405
MAR-TRE-4b834d9a-20
0.405
MAR-TRE-d0525fbf-28
0.404
MAR-TRE-d0525fbf-38
0.404
MAR-TRE-4b834d9a-8
0.402
MAR-TRE-7f7bb9f0-7
0.402
MAR-TRE-d0525fbf-21
0.402
MAR-TRE-4b834d9a-18
0.402
MAR-TRE-b77b7921-27
0.398
MAR-TRE-d0525fbf-43
0.398
MAR-TRE-04c86cea-9
0.396
MAR-TRE-74c6519b-10
0.396
MAR-TRE-4b834d9a-11
0.394
MAR-TRE-b77b7921-23
0.394
MAR-TRE-9c797165-25
0.393
MAR-TRE-4b834d9a-54
0.393
MAR-TRE-4b834d9a-76
0.389
MAR-TRE-b77b7921-20
0.387
MAR-TRE-04c86cea-74
0.387
MAR-TRE-d0525fbf-44
0.386
MAR-TRE-b77b7921-7
0.384
MAR-TRE-d0525fbf-23
0.383
MAR-TRE-b77b7921-19
0.383
MAR-TRE-74c6519b-9
0.382
MAR-TRE-4b834d9a-6
0.380
MAR-TRE-74c6519b-78
0.379
MAR-TRE-f6f5f473-26
0.378
MAR-TRE-d0525fbf-2
0.377
MAR-TRE-4b834d9a-5
0.376
MAR-TRE-b77b7921-2
0.376
MAR-TRE-04c86cea-45
0.374
MAR-TRE-4b834d9a-12
0.373
MAR-TRE-74c6519b-8
0.373
MAR-TRE-7f7bb9f0-73
0.371
MAR-TRE-b77b7921-4
0.370
MAR-TRE-4b834d9a-4
0.369
MAR-TRE-4b834d9a-22
0.369
MAR-TRE-3e4e6814-12
0.368
MAR-TRE-4b834d9a-37
0.367
MAR-TRE-04c86cea-73
0.364
MAR-TRE-4b834d9a-47
0.364
MAR-TRE-4b834d9a-69
0.364
MAR-TRE-4b834d9a-10
0.363
MAR-TRE-b77b7921-54
0.363
MAR-TRE-7f7bb9f0-17
0.363
MAR-TRE-7f7bb9f0-85
0.363
MAR-TRE-d0525fbf-71
0.362
MAR-TRE-b77b7921-11
0.362
MAR-TRE-3e4e6814-14
0.361
MAR-TRE-74c6519b-6
0.361
MAR-TRE-74c6519b-86
0.360
MAR-TRE-b77b7921-3
0.360
MAR-TRE-f6f5f473-12
0.360
MAR-TRE-74c6519b-7
0.360
MAR-TRE-b77b7921-5
0.360
MAR-TRE-04c86cea-12
0.360
MAR-TRE-9c797165-45
0.359
MAR-TRE-4b834d9a-7
0.359
MAR-TRE-74c6519b-25
0.358
MAR-TRE-d0525fbf-39
0.357
MAR-TRE-f6f5f473-50
0.357
MAR-TRE-d0525fbf-41
0.357
MAR-TRE-04c86cea-72
0.357
MAR-TRE-b77b7921-8
0.357
MAR-TRE-4b834d9a-40
0.356
MAR-TRE-4b834d9a-35
0.355
MAR-TRE-3e4e6814-7
0.355
MAR-TRE-04c86cea-63
0.355
MAR-TRE-3e4e6814-5
0.353
MAR-TRE-4b834d9a-84
0.352
MAR-TRE-04c86cea-69
0.352
MAR-TRE-04c86cea-60
0.351
MAR-TRE-f6f5f473-45
0.351