Molecular Properties | |
SMILES: | Cn1c(=O)c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c2cccnc21 |
MW: | 360.14 |
Fraction sp3: | 0.53 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 95.66 |
cLogP: | -0.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-9c797165-40
0.727
MAR-TRE-3e4e6814-35
0.644
MAR-TRE-9c797165-18
0.542
MAR-TRE-d0525fbf-100
0.522
MAR-TRE-3e4e6814-1
0.460
MAR-TRE-7f7bb9f0-17
0.455
MAR-TRE-7f7bb9f0-57
0.451
MAR-TRE-4b834d9a-7
0.449
MAR-TRE-67513f76-2
0.449
MAR-TRE-67513f76-18
0.449
MAR-TRE-7f7bb9f0-29
0.440
MAR-TRE-b77b7921-54
0.438
MAR-TRE-4b834d9a-39
0.429
MAR-TRE-4b834d9a-55
0.429
MAR-TRE-67513f76-91
0.427
MAR-TRE-4b834d9a-99
0.424
MAR-TRE-4b834d9a-8
0.419
MAR-TRE-b77b7921-11
0.419
MAR-TRE-4b834d9a-2
0.415
MAR-TRE-d0525fbf-39
0.410
MAR-TRE-3e4e6814-72
0.408
MAR-TRE-d0525fbf-28
0.406
MAR-TRE-4b834d9a-3
0.406
MAR-TRE-04c86cea-77
0.404
MAR-TRE-b77b7921-69
0.398
MAR-TRE-d0525fbf-23
0.398
MAR-TRE-4b834d9a-51
0.394
MAR-TRE-9c797165-25
0.394
MAR-TRE-4b834d9a-32
0.387
MAR-TRE-74c6519b-36
0.386
MAR-TRE-3e4e6814-10
0.379
MAR-TRE-7f7bb9f0-65
0.379
MAR-TRE-3e4e6814-20
0.361
SAD-SAT-65574d3f-5
0.356
MAR-TRE-7f7bb9f0-87
0.349
MAR-TRE-4b834d9a-30
0.336
MAR-TRE-d0525fbf-81
0.333
MAR-TRE-9c797165-36
0.326
MAR-TRE-4b834d9a-84
0.323
MAR-TRE-9c797165-15
0.323
MAR-TRE-9c797165-97
0.318
MAR-TRE-67513f76-94
0.313
MAR-TRE-9c797165-89
0.310
MAR-TRE-74c6519b-78
0.310
MAR-TRE-b77b7921-16
0.308
MAR-TRE-7f7bb9f0-85
0.306
MAR-TRE-3e4e6814-3
0.306
MAR-TRE-3e4e6814-25
0.306
MAR-TRE-3e4e6814-60
0.306
MAR-TRE-74c6519b-71
0.304
MAR-TRE-74c6519b-75
0.304
MAT-POS-b5746674-104
0.304
MAR-TRE-9c797165-45
0.303
MAR-TRE-3e4e6814-37
0.303
MAR-TRE-7f7bb9f0-39
0.302
MAR-TRE-67513f76-27
0.300
MAR-TRE-4b834d9a-40
0.300
MAR-TRE-f6f5f473-89
0.298
MAR-TRE-b77b7921-93
0.298
MAR-TRE-3e4e6814-5
0.296
MAR-TRE-3e4e6814-36
0.295
MAR-TRE-f6f5f473-66
0.294
MAR-TRE-7f7bb9f0-71
0.294
MAR-TRE-67513f76-62
0.294
MAR-TRE-7f7bb9f0-78
0.293
MAR-TRE-74c6519b-10
0.292
MAR-TRE-9c797165-74
0.291
MAR-TRE-4b834d9a-93
0.291
MAR-TRE-74c6519b-73
0.290
MAR-TRE-4b834d9a-37
0.290
MAR-TRE-3e4e6814-69
0.289
MAR-TRE-74c6519b-3
0.288
MAR-TRE-3e4e6814-12
0.288
MAR-TRE-7f7bb9f0-34
0.288
MAR-TRE-4b834d9a-95
0.287
MAR-TRE-f6f5f473-40
0.287
MAR-TRE-f6f5f473-54
0.287
MAR-TRE-b77b7921-2
0.287
MAR-TRE-3e4e6814-71
0.284
MAR-TRE-67513f76-15
0.283
MAR-TRE-d0525fbf-5
0.283
MAR-TRE-b77b7921-61
0.283
MAR-TRE-04c86cea-89
0.283
MAR-TRE-74c6519b-6
0.283
MAR-TRE-b77b7921-23
0.282
MAR-TRE-4b834d9a-33
0.282
MAR-TRE-04c86cea-16
0.281
MAR-TRE-9c797165-100
0.281
MAR-TRE-b77b7921-4
0.280
MAR-TRE-4b834d9a-14
0.280
MAR-TRE-67513f76-56
0.280
MAR-TRE-74c6519b-25
0.279
MAR-TRE-67513f76-23
0.279
MAR-TRE-d0525fbf-43
0.279
MAR-TRE-74c6519b-61
0.278
MAR-TRE-f6f5f473-92
0.278
MAR-TRE-9c797165-51
0.278
MAR-TRE-4b834d9a-6
0.278
MAR-TRE-f6f5f473-68
0.278
MAR-TRE-f6f5f473-53
0.276