Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCc3cc(F)cc(F)c3)c3cccnc3n12 |
MW: | 384.11 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9881500153 |
MolPort: | MolPort-010-907-077 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-21
0.783
MAR-TRE-4b834d9a-14
0.778
MAR-TRE-3e4e6814-12
0.741
MAR-TRE-74c6519b-6
0.723
MAR-TRE-b77b7921-2
0.718
MAR-TRE-b77b7921-4
0.714
MAR-TRE-4b834d9a-12
0.709
MAR-TRE-74c6519b-8
0.709
MAR-TRE-b77b7921-3
0.709
MAR-TRE-d0525fbf-5
0.708
MAR-TRE-4b834d9a-6
0.706
MAR-TRE-04c86cea-1
0.690
MAR-TRE-d0525fbf-4
0.685
MAR-TRE-9c797165-45
0.679
MAR-TRE-7f7bb9f0-5
0.678
MAR-TRE-d0525fbf-7
0.678
MAR-TRE-4b834d9a-15
0.670
MAR-TRE-b77b7921-23
0.663
MAR-TRE-74c6519b-10
0.655
MAR-TRE-4b834d9a-37
0.648
MAR-TRE-4b834d9a-84
0.643
MAR-TRE-9c797165-74
0.628
MAR-TRE-4b834d9a-20
0.617
MAR-TRE-9c797165-15
0.614
MAR-TRE-4b834d9a-11
0.609
MAR-TRE-b77b7921-16
0.607
MAR-TRE-67513f76-94
0.593
MAR-TRE-9c797165-89
0.586
MAR-TRE-3e4e6814-7
0.576
MAR-TRE-74c6519b-71
0.573
MAR-TRE-74c6519b-5
0.564
MAR-TRE-b77b7921-93
0.560
MAR-TRE-74c6519b-7
0.557
MAR-TRE-3e4e6814-36
0.554
MAR-TRE-b77b7921-61
0.551
MAR-TRE-4b834d9a-10
0.546
MAR-TRE-4b834d9a-4
0.542
MAR-TRE-74c6519b-9
0.526
MAR-TRE-7f7bb9f0-29
0.516
MAR-TRE-4b834d9a-9
0.515
MAR-TRE-7f7bb9f0-3
0.505
MAR-TRE-d0525fbf-41
0.495
MAR-TRE-4b834d9a-2
0.489
MAR-TRE-4b834d9a-25
0.484
MAR-TRE-b77b7921-22
0.470
MAR-TRE-4b834d9a-18
0.460
MAR-TRE-7f7bb9f0-34
0.456
MAR-TRE-04c86cea-73
0.446
MAR-TRE-3e4e6814-5
0.441
MAR-TRE-74c6519b-27
0.434
MAR-TRE-b77b7921-11
0.433
MAR-TRE-74c6519b-73
0.432
MAR-TRE-3e4e6814-14
0.430
MAR-TRE-74c6519b-25
0.429
MAR-TRE-b77b7921-7
0.425
MAR-TRE-b77b7921-54
0.421
MAR-TRE-f6f5f473-22
0.419
MAR-TRE-7f7bb9f0-70
0.419
MAR-TRE-f6f5f473-66
0.418
MAR-TRE-4b834d9a-69
0.417
MAR-TRE-4b834d9a-87
0.417
MAR-TRE-04c86cea-60
0.417
MAR-TRE-4b834d9a-39
0.412
MAR-TRE-4b834d9a-22
0.410
MAR-TRE-04c86cea-4
0.410
MAR-TRE-74c6519b-30
0.408
MAR-TRE-f6f5f473-17
0.408
MAR-TRE-4b834d9a-13
0.408
MAR-TRE-4b834d9a-3
0.406
MAR-TRE-04c86cea-52
0.406
MAR-TRE-3e4e6814-73
0.406
MAR-TRE-74c6519b-70
0.406
MAR-TRE-4b834d9a-60
0.404
MAR-TRE-4b834d9a-5
0.404
MAR-TRE-7f7bb9f0-9
0.402
MAR-TRE-d0525fbf-11
0.402
MAR-TRE-b77b7921-29
0.400
MAR-TRE-04c86cea-72
0.396
MAR-TRE-04c86cea-6
0.396
MAR-TRE-d0525fbf-8
0.394
MAR-TRE-d0525fbf-70
0.394
MAR-TRE-4b834d9a-99
0.394
MAR-TRE-74c6519b-78
0.394
MAR-TRE-d0525fbf-79
0.390
MAR-TRE-4b834d9a-33
0.390
MAR-TRE-f6f5f473-45
0.389
MAR-TRE-67513f76-11
0.388
MAR-TRE-f6f5f473-94
0.388
MAR-TRE-67513f76-2
0.388
MAR-TRE-d0525fbf-37
0.387
MAR-TRE-d0525fbf-22
0.385
MAR-TRE-67513f76-27
0.384
MAR-TRE-d0525fbf-39
0.383
MAR-TRE-b77b7921-8
0.382
MAR-TRE-4b834d9a-35
0.381
MAR-TRE-04c86cea-63
0.381
MAR-TRE-f6f5f473-55
0.379
MAR-TRE-f6f5f473-34
0.379
MAR-TRE-d0525fbf-68
0.378
MAR-TRE-7f7bb9f0-17
0.378