Molecular Properties | |
SMILES: | CCc1nnc2c(=O)n(CC(=O)NCc3cccc(C)c3)c3cccnc3n12 |
MW: | 376.16 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.18 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5940602138 |
MolPort: | MolPort-010-907-139 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-10
0.802
MAR-TRE-4b834d9a-20
0.784
MAR-TRE-74c6519b-8
0.767
MAR-TRE-74c6519b-5
0.747
MAR-TRE-3e4e6814-7
0.744
MAR-TRE-4b834d9a-11
0.700
MAR-TRE-4b834d9a-4
0.700
MAR-TRE-74c6519b-9
0.663
MAR-TRE-4b834d9a-9
0.649
MAR-TRE-d0525fbf-41
0.645
MAR-TRE-74c6519b-25
0.629
MAR-TRE-b77b7921-11
0.618
MAR-TRE-4b834d9a-12
0.617
MAR-TRE-4b834d9a-21
0.611
MAR-TRE-b77b7921-22
0.600
MAR-TRE-7f7bb9f0-34
0.582
MAR-TRE-4b834d9a-87
0.573
MAR-TRE-b77b7921-2
0.573
MAR-TRE-3e4e6814-12
0.570
MAR-TRE-b77b7921-4
0.568
MAR-TRE-74c6519b-6
0.558
MAR-TRE-7f7bb9f0-7
0.557
MAR-TRE-d0525fbf-5
0.539
MAR-TRE-4b834d9a-14
0.536
MAR-TRE-4b834d9a-6
0.531
MAR-TRE-b77b7921-3
0.520
MAR-TRE-04c86cea-1
0.520
MAR-TRE-b77b7921-23
0.515
MAR-TRE-74c6519b-70
0.510
MAR-TRE-74c6519b-10
0.505
MAR-TRE-f6f5f473-72
0.505
MAR-TRE-3e4e6814-2
0.500
MAR-TRE-9c797165-45
0.500
MAR-TRE-4b834d9a-15
0.490
MAR-TRE-9c797165-89
0.490
MAR-TRE-7f7bb9f0-5
0.486
MAR-TRE-4b834d9a-37
0.485
MAR-TRE-d0525fbf-4
0.476
MAR-TRE-4b834d9a-25
0.475
MAR-TRE-4b834d9a-84
0.474
MAR-TRE-d0525fbf-7
0.472
MAR-TRE-4b834d9a-3
0.470
MAR-TRE-4b834d9a-2
0.465
MAR-TRE-9c797165-74
0.465
MAR-TRE-9c797165-15
0.463
MAR-TRE-4b834d9a-22
0.457
MAR-TRE-b77b7921-16
0.451
MAR-TRE-67513f76-94
0.449
MAR-TRE-d0525fbf-22
0.444
MAR-TRE-b77b7921-8
0.440
MAR-TRE-b77b7921-61
0.440
MAR-TRE-74c6519b-73
0.439
MAR-TRE-74c6519b-71
0.436
MAR-TRE-b77b7921-10
0.434
MAR-TRE-3e4e6814-5
0.433
MAR-TRE-b77b7921-54
0.429
MAR-TRE-3159af1a-4
0.427
MAR-TRE-74c6519b-27
0.427
MAR-TRE-b77b7921-93
0.427
MAR-TRE-3e4e6814-36
0.423
MAR-TRE-04c86cea-33
0.414
MAR-TRE-f6f5f473-22
0.413
MAR-TRE-f6f5f473-66
0.412
MAR-TRE-3e4e6814-14
0.410
MAR-TRE-04c86cea-58
0.409
MAR-TRE-04c86cea-4
0.404
MAR-TRE-4b834d9a-13
0.402
MAR-TRE-04c86cea-60
0.398
MAR-TRE-f6f5f473-96
0.396
MAR-TRE-b77b7921-29
0.394
MAR-TRE-d0525fbf-6
0.393
MAR-TRE-4b834d9a-39
0.392
MAR-TRE-04c86cea-20
0.391
MAR-TRE-d0525fbf-39
0.391
MAR-TRE-04c86cea-6
0.391
MAR-TRE-04c86cea-72
0.391
MAR-TRE-74c6519b-78
0.388
MAR-TRE-7f7bb9f0-85
0.386
MAR-TRE-d0525fbf-68
0.386
MAR-TRE-4b834d9a-18
0.385
MAR-TRE-4b834d9a-5
0.385
MAR-TRE-4b834d9a-69
0.385
MAR-TRE-04c86cea-73
0.385
MAR-TRE-f6f5f473-45
0.384
MAR-TRE-b77b7921-48
0.381
MAR-TRE-67513f76-27
0.379
MAR-TRE-d0525fbf-8
0.377
MAR-TRE-7f7bb9f0-29
0.375
MAR-TRE-74c6519b-45
0.375
MAR-TRE-f6f5f473-34
0.374
MAR-TRE-f6f5f473-55
0.374
MAR-TRE-7f7bb9f0-17
0.373
MAR-TRE-4b834d9a-33
0.371
MAR-TRE-04c86cea-80
0.370
MAR-TRE-67513f76-2
0.369
MAR-TRE-f6f5f473-94
0.369
MAR-TRE-b77b7921-7
0.368
MAR-TRE-b77b7921-5
0.368
MAR-TRE-b77b7921-99
0.367
MAR-TRE-f6f5f473-43
0.367