Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)N1CCN(c2ccccn2)CC1 |
MW: | 456.19 |
Fraction sp3: | 0.24 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 93.33 |
cLogP: | 1.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-669-978 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-b77b7921-69
0.747
MAR-TRE-4b834d9a-51
0.545
MAR-TRE-f6f5f473-89
0.521
MAR-TRE-3e4e6814-35
0.510
MAR-TRE-04c86cea-55
0.490
MAR-TRE-4b834d9a-93
0.485
SAD-SAT-5b1897b2-3
0.450
MAR-TRE-9c797165-40
0.439
MAR-TRE-f6f5f473-40
0.427
MAR-TRE-74c6519b-75
0.424
MAR-TRE-f6f5f473-66
0.414
MAR-TRE-4b834d9a-32
0.412
MAR-TRE-f6f5f473-54
0.400
MAR-TRE-04c86cea-73
0.400
MAR-TRE-04c86cea-12
0.394
MAR-TRE-3e4e6814-5
0.392
MAR-TRE-9c797165-61
0.386
MAR-TRE-04c86cea-74
0.385
MAR-TRE-7f7bb9f0-29
0.363
MAR-TRE-3e4e6814-10
0.363
MAR-TRE-f6f5f473-92
0.360
MAR-TRE-7f7bb9f0-65
0.350
MAR-TRE-3e4e6814-3
0.347
MAR-TRE-3e4e6814-20
0.346
MAR-TRE-3e4e6814-64
0.346
MAR-TRE-3e4e6814-38
0.344
MAR-TRE-9c797165-36
0.340
MAR-TRE-f6f5f473-94
0.330
MAR-TRE-4b834d9a-95
0.327
MAR-TRE-4b834d9a-30
0.325
MAR-TRE-3e4e6814-90
0.324
MAR-TRE-3e4e6814-73
0.324
MAR-TRE-74c6519b-78
0.324
MAR-TRE-f6f5f473-48
0.322
MAR-TRE-9c797165-18
0.322
MAR-TRE-04c86cea-14
0.322
MAR-TRE-d0525fbf-100
0.321
MAR-TRE-7f7bb9f0-85
0.320
MAR-TRE-4b834d9a-23
0.318
MAR-TRE-d0525fbf-43
0.318
MAR-TRE-74c6519b-25
0.318
MAR-TRE-74c6519b-73
0.317
MAR-TRE-7f7bb9f0-39
0.317
MAT-POS-b5746674-99
0.315
MAR-TRE-3e4e6814-12
0.315
MAR-TRE-4b834d9a-25
0.315
MAR-TRE-f6f5f473-53
0.315
SAD-SAT-f0a2747f-4
0.314
MAR-TRE-f6f5f473-55
0.312
MAR-TRE-4b834d9a-33
0.308
MAR-TRE-7f7bb9f0-87
0.304
MAR-TRE-3e4e6814-37
0.304
MAR-TRE-3e4e6814-69
0.304
MAR-TRE-67513f76-27
0.302
MAR-TRE-4b834d9a-40
0.302
MAR-TRE-74c6519b-60
0.301
MAR-TRE-04c86cea-21
0.300
MAR-TRE-74c6519b-27
0.300
MAR-TRE-b77b7921-100
0.300
MAR-TRE-04c86cea-52
0.300
MAR-TRE-04c86cea-69
0.300
MAR-TRE-f6f5f473-7
0.300
MAR-TRE-4b834d9a-28
0.299
MAR-TRE-04c86cea-27
0.299
MAR-TRE-3e4e6814-1
0.298
MAR-TRE-3e4e6814-14
0.297
MAR-TRE-4b834d9a-41
0.296
MAR-TRE-04c86cea-6
0.296
MAR-TRE-b77b7921-43
0.296
MAR-TRE-f6f5f473-82
0.295
MAR-TRE-04c86cea-16
0.294
MAR-TRE-4b834d9a-72
0.292
MAR-TRE-3e4e6814-7
0.292
MAR-TRE-04c86cea-58
0.291
MAR-TRE-4b834d9a-55
0.290
MAR-TRE-04c86cea-60
0.289
MAR-TRE-d0525fbf-79
0.289
MAR-TRE-f6f5f473-20
0.288
MAR-TRE-f6f5f473-34
0.288
MAK-UNK-7c9d1431-24
0.287
DRR-IMP-38dce17f-3
0.287
MAR-TRE-3e4e6814-99
0.287
MAR-TRE-74c6519b-23
0.287
MAR-TRE-3e4e6814-75
0.287
MAR-TRE-3e4e6814-18
0.287
MAR-TRE-04c86cea-92
0.287
MAR-TRE-b77b7921-27
0.287
MAR-TRE-04c86cea-2
0.287
MAR-TRE-04c86cea-30
0.287
MAR-TRE-b77b7921-16
0.286
MAR-TRE-04c86cea-61
0.286
MAR-TRE-3e4e6814-36
0.286
MAR-TRE-b77b7921-59
0.286
MAR-TRE-b77b7921-60
0.283
MAR-TRE-04c86cea-88
0.282
MAR-TRE-04c86cea-50
0.282
MAR-TRE-4b834d9a-50
0.281
MAR-TRE-3e4e6814-30
0.281
MAR-TRE-3e4e6814-72
0.281
MAR-TRE-74c6519b-59
0.281