Molecular Properties | |
SMILES: | CCn1c(=O)c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c2cccnc21 |
MW: | 374.16 |
Fraction sp3: | 0.56 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 95.66 |
cLogP: | -0.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-9c797165-61
0.727
MAR-TRE-3e4e6814-35
0.714
MAR-TRE-9c797165-36
0.500
MAR-TRE-3e4e6814-3
0.466
MAR-TRE-7f7bb9f0-85
0.466
MAR-TRE-7f7bb9f0-39
0.465
MAR-TRE-4b834d9a-51
0.460
MAR-TRE-67513f76-27
0.456
MAR-TRE-4b834d9a-40
0.456
MAR-TRE-3e4e6814-5
0.455
MAR-TRE-b77b7921-69
0.453
MAR-TRE-74c6519b-78
0.451
MAR-TRE-74c6519b-73
0.444
MAR-TRE-4b834d9a-95
0.440
MAR-TRE-74c6519b-36
0.439
MAR-TRE-7f7bb9f0-29
0.435
MAR-TRE-4b834d9a-33
0.430
MAR-TRE-74c6519b-25
0.426
MAR-TRE-d0525fbf-43
0.426
MAR-TRE-4b834d9a-25
0.421
MAR-TRE-3e4e6814-90
0.417
MAR-TRE-d0525fbf-100
0.382
MAR-TRE-7f7bb9f0-65
0.375
MAR-TRE-4b834d9a-32
0.368
MAR-TRE-3e4e6814-10
0.361
MAR-TRE-3e4e6814-20
0.357
MAR-TRE-74c6519b-75
0.354
SAD-SAT-65574d3f-5
0.351
MAR-TRE-9c797165-18
0.349
MAR-TRE-f6f5f473-89
0.347
MAR-TRE-7f7bb9f0-87
0.345
MAR-TRE-f6f5f473-66
0.343
MAR-TRE-d0525fbf-81
0.343
MAR-TRE-f6f5f473-40
0.333
MAR-TRE-f6f5f473-54
0.333
MAR-TRE-4b834d9a-93
0.324
MAR-TRE-4b834d9a-30
0.321
MAR-TRE-04c86cea-73
0.321
MAR-TRE-9c797165-89
0.320
MAR-TRE-4b834d9a-84
0.320
MAR-TRE-7f7bb9f0-57
0.317
MAR-TRE-7f7bb9f0-17
0.316
MAR-TRE-04c86cea-55
0.315
MAR-TRE-67513f76-91
0.314
MAR-TRE-67513f76-18
0.313
MAR-TRE-3e4e6814-37
0.312
MAR-TRE-67513f76-94
0.310
MAR-TRE-f6f5f473-92
0.310
MAR-TRE-04c86cea-74
0.309
MAR-TRE-04c86cea-12
0.306
MAR-TRE-9c797165-15
0.306
MAR-TRE-3e4e6814-1
0.306
MAR-TRE-b77b7921-16
0.305
MAR-TRE-b77b7921-54
0.303
MAR-TRE-3e4e6814-60
0.303
MAR-TRE-74c6519b-71
0.301
MAT-POS-b5746674-104
0.301
MAR-TRE-4b834d9a-7
0.300
MAR-TRE-9c797165-45
0.300
MAR-TRE-67513f76-2
0.300
MAR-TRE-7f7bb9f0-34
0.297
MAR-TRE-4b834d9a-55
0.297
MAR-TRE-b77b7921-93
0.295
MAR-TRE-3e4e6814-36
0.292
MAR-TRE-67513f76-62
0.291
MAR-TRE-3e4e6814-25
0.291
MAR-TRE-b77b7921-4
0.290
MAR-TRE-04c86cea-16
0.289
MAR-TRE-9c797165-74
0.288
MAR-TRE-9c797165-25
0.287
MAR-TRE-4b834d9a-37
0.287
MAR-TRE-74c6519b-3
0.286
MAR-TRE-3e4e6814-12
0.286
MAR-TRE-3e4e6814-69
0.286
MAR-TRE-b77b7921-2
0.284
MAR-TRE-4b834d9a-39
0.284
MAR-TRE-b77b7921-22
0.282
MAR-TRE-04c86cea-1
0.282
MAR-TRE-b77b7921-90
0.282
MAR-TRE-4b834d9a-99
0.282
MAR-TRE-b77b7921-61
0.281
MAR-TRE-74c6519b-6
0.280
MAR-TRE-9c797165-97
0.279
MAR-TRE-7f7bb9f0-71
0.279
MAR-TRE-d0525fbf-39
0.279
MAR-TRE-4b834d9a-8
0.279
MAR-TRE-b77b7921-11
0.279
MAR-TRE-f6f5f473-44
0.278
MAR-TRE-74c6519b-92
0.278
MAR-TRE-d0525fbf-23
0.278
MAR-TRE-4b834d9a-14
0.278
MAR-TRE-74c6519b-10
0.278
MAR-TRE-7f7bb9f0-78
0.277
MAR-TRE-67513f76-23
0.276
MAR-TRE-4b834d9a-2
0.276
MAR-TRE-74c6519b-61
0.276
MAR-TRE-74c6519b-59
0.275
MAR-TRE-4b834d9a-6
0.275
MAR-TRE-3e4e6814-72
0.275
MAR-TRE-d0525fbf-4
0.274