Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCc3ccc(F)cc3F)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-9276884746 |
MolPort: | MolPort-010-907-076 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-d0525fbf-7
0.782
MAR-TRE-7f7bb9f0-5
0.761
MAR-TRE-4b834d9a-15
0.756
MAR-TRE-4b834d9a-21
0.708
MAR-TRE-4b834d9a-14
0.701
MAR-TRE-7f7bb9f0-7
0.685
MAR-TRE-74c6519b-10
0.682
MAR-TRE-b77b7921-23
0.670
MAR-TRE-b77b7921-2
0.648
MAR-TRE-3e4e6814-12
0.648
MAR-TRE-9c797165-45
0.647
MAR-TRE-b77b7921-4
0.644
MAR-TRE-d0525fbf-5
0.642
MAR-TRE-4b834d9a-6
0.637
MAR-TRE-4b834d9a-37
0.637
MAR-TRE-74c6519b-6
0.633
MAR-TRE-4b834d9a-12
0.624
MAR-TRE-74c6519b-8
0.624
MAR-TRE-b77b7921-3
0.624
MAR-TRE-4b834d9a-84
0.614
MAR-TRE-04c86cea-1
0.606
MAR-TRE-9c797165-74
0.600
MAR-TRE-9c797165-15
0.586
MAR-TRE-b77b7921-16
0.581
MAR-TRE-4b834d9a-9
0.571
MAR-TRE-67513f76-94
0.567
MAR-TRE-d0525fbf-21
0.562
MAR-TRE-9c797165-89
0.560
MAR-TRE-b77b7921-27
0.557
MAR-TRE-b77b7921-20
0.556
MAR-TRE-74c6519b-71
0.548
MAR-TRE-4b834d9a-20
0.545
MAR-TRE-b77b7921-93
0.537
MAR-TRE-4b834d9a-11
0.535
MAR-TRE-74c6519b-9
0.535
MAR-TRE-3e4e6814-36
0.531
MAR-TRE-b77b7921-61
0.529
MAR-TRE-d0525fbf-2
0.524
MAR-TRE-04c86cea-9
0.520
MAR-TRE-7f7bb9f0-29
0.495
MAR-TRE-3e4e6814-7
0.490
MAR-TRE-d0525fbf-11
0.481
MAR-TRE-74c6519b-5
0.480
MAR-TRE-74c6519b-7
0.476
MAR-TRE-d0525fbf-41
0.476
MAR-TRE-4b834d9a-4
0.476
MAR-TRE-4b834d9a-33
0.474
MAR-TRE-4b834d9a-10
0.467
MAR-TRE-7f7bb9f0-9
0.467
MAR-TRE-4b834d9a-99
0.464
MAR-TRE-4b834d9a-25
0.450
MAR-TRE-4b834d9a-2
0.440
MAR-TRE-04c86cea-74
0.439
MAR-TRE-b77b7921-22
0.438
MAR-TRE-74c6519b-78
0.434
MAR-TRE-7f7bb9f0-34
0.426
MAR-TRE-b77b7921-29
0.425
MAR-TRE-b77b7921-43
0.421
MAR-TRE-4b834d9a-54
0.419
MAR-TRE-4b834d9a-18
0.415
MAR-TRE-04c86cea-73
0.415
MAR-TRE-d0525fbf-43
0.412
MAR-TRE-7f7bb9f0-22
0.411
MAR-TRE-74c6519b-86
0.411
MAR-TRE-4b834d9a-95
0.410
MAR-TRE-3e4e6814-4
0.409
MAR-TRE-4b834d9a-36
0.407
MAR-TRE-9c797165-25
0.406
MAR-TRE-4b834d9a-8
0.402
MAR-TRE-04c86cea-45
0.400
MAR-TRE-d0525fbf-44
0.398
MAR-TRE-f6f5f473-12
0.398
MAR-TRE-d0525fbf-23
0.396
MAR-TRE-4b834d9a-55
0.396
MAR-TRE-7f7bb9f0-73
0.395
MAR-TRE-3e4e6814-5
0.394
MAR-TRE-d0525fbf-38
0.391
MAR-TRE-3e4e6814-19
0.391
MAR-TRE-d0525fbf-28
0.390
MAR-TRE-7f7bb9f0-85
0.390
MAR-TRE-4b834d9a-69
0.389
MAR-TRE-4b834d9a-87
0.389
MAR-TRE-74c6519b-73
0.386
MAR-TRE-7f7bb9f0-1
0.386
MAR-TRE-d0525fbf-71
0.386
MAR-TRE-74c6519b-25
0.385
MAR-TRE-b77b7921-7
0.384
MAR-TRE-04c86cea-12
0.384
MAR-TRE-74c6519b-16
0.384
MAR-TRE-67513f76-27
0.382
MAR-TRE-4b834d9a-40
0.382
MAR-TRE-f6f5f473-22
0.378
MAR-TRE-f6f5f473-26
0.378
MAR-TRE-74c6519b-27
0.377
MAR-TRE-7f7bb9f0-17
0.376
MAR-TRE-b77b7921-54
0.376
MAR-TRE-4b834d9a-76
0.376
MAR-TRE-04c86cea-60
0.376
MAR-TRE-d0525fbf-3
0.375
MAR-TRE-b77b7921-11
0.375