Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)c3cccnc32)cc1 |
MW: | 450.19 |
Fraction sp3: | 0.42 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 95.66 |
cLogP: | 1.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-9c797165-40
0.714
MAR-TRE-4b834d9a-51
0.660
MAR-TRE-9c797165-61
0.644
MAR-TRE-74c6519b-75
0.565
MAR-TRE-f6f5f473-66
0.554
MAR-TRE-f6f5f473-40
0.531
MAR-TRE-f6f5f473-54
0.531
MAR-TRE-b77b7921-69
0.526
MAR-TRE-04c86cea-73
0.515
MAR-TRE-74c6519b-36
0.510
MAR-TRE-04c86cea-74
0.495
MAR-TRE-04c86cea-12
0.490
MAR-TRE-f6f5f473-92
0.477
MAR-TRE-f6f5f473-89
0.417
MAR-TRE-74c6519b-73
0.414
MAR-TRE-7f7bb9f0-29
0.406
MAR-TRE-4b834d9a-93
0.404
MAR-TRE-3e4e6814-71
0.398
MAR-TRE-74c6519b-59
0.393
MAR-TRE-3e4e6814-10
0.392
MAR-TRE-3e4e6814-70
0.387
MAR-TRE-04c86cea-55
0.382
MAR-TRE-f6f5f473-61
0.363
MAR-TRE-f6f5f473-93
0.354
MAR-TRE-4b834d9a-30
0.351
MAR-TRE-f6f5f473-42
0.350
MAR-TRE-74c6519b-6
0.349
MAR-TRE-d0525fbf-100
0.348
MAR-TRE-9c797165-36
0.343
MAR-TRE-7f7bb9f0-65
0.340
MAR-TRE-4b834d9a-32
0.333
MAR-TRE-3e4e6814-25
0.333
MAR-TRE-3e4e6814-60
0.333
MAR-TRE-74c6519b-25
0.333
MAR-TRE-67513f76-27
0.330
MAR-TRE-f6f5f473-34
0.327
MAR-TRE-74c6519b-78
0.327
MAR-TRE-3e4e6814-5
0.327
SAD-SAT-65574d3f-5
0.325
MAR-TRE-d0525fbf-81
0.325
MAR-TRE-3e4e6814-20
0.324
MAR-TRE-7f7bb9f0-85
0.324
MAR-TRE-3e4e6814-3
0.324
MAR-TRE-f6f5f473-43
0.321
MAR-TRE-7f7bb9f0-39
0.320
MAR-TRE-3e4e6814-37
0.319
MAR-TRE-74c6519b-30
0.319
MAR-TRE-4b834d9a-40
0.318
MAR-TRE-4b834d9a-95
0.318
MAR-TRE-74c6519b-23
0.317
MAR-TRE-3e4e6814-21
0.316
MAR-TRE-f6f5f473-88
0.316
MAR-TRE-74c6519b-5
0.313
MAR-TRE-9c797165-18
0.312
MAR-TRE-7f7bb9f0-87
0.309
MAR-TRE-74c6519b-40
0.308
MAR-TRE-f6f5f473-17
0.307
MAR-TRE-4b834d9a-25
0.306
MAR-TRE-d0525fbf-88
0.304
MAR-TRE-3e4e6814-90
0.304
MAR-TRE-f6f5f473-55
0.304
MAR-TRE-4b834d9a-84
0.303
MAR-TRE-74c6519b-21
0.303
MAR-TRE-04c86cea-80
0.301
MAR-TRE-74c6519b-39
0.301
MAR-TRE-4b834d9a-33
0.300
MAR-TRE-f6f5f473-86
0.299
MAR-TRE-3e4e6814-86
0.298
MAR-TRE-74c6519b-92
0.298
MAR-TRE-04c86cea-16
0.298
MAR-TRE-d0525fbf-43
0.297
MAR-TRE-d0525fbf-66
0.297
MAR-TRE-4b834d9a-6
0.296
MAR-TRE-f6f5f473-68
0.296
MAR-TRE-f6f5f473-48
0.294
MAR-TRE-67513f76-94
0.294
MAR-TRE-b77b7921-2
0.293
MAR-TRE-4b834d9a-5
0.293
MAR-TRE-b77b7921-48
0.292
MAR-TRE-3e4e6814-51
0.292
MAR-TRE-9c797165-89
0.291
MAR-TRE-3e4e6814-42
0.291
MAR-TRE-f6f5f473-21
0.291
MAR-TRE-9c797165-15
0.290
MAR-TRE-b77b7921-16
0.289
MAR-TRE-d0525fbf-5
0.289
MAR-TRE-b77b7921-11
0.288
MAR-TRE-d0525fbf-39
0.288
MAR-TRE-04c86cea-57
0.288
MAR-TRE-b77b7921-54
0.287
MAR-TRE-b77b7921-4
0.287
MAR-TRE-4b834d9a-14
0.287
MAR-TRE-3e4e6814-26
0.287
MAR-TRE-f6f5f473-22
0.286
MAT-POS-b5746674-104
0.286
MAR-TRE-74c6519b-71
0.286
MAR-TRE-3e4e6814-94
0.285
MAR-TRE-9c797165-45
0.284
MAR-TRE-67513f76-2
0.284
MAR-TRE-b77b7921-20
0.283