Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)N3CCOCC3)c3cccnc3n12 |
MW: | 328.13 |
Fraction sp3: | 0.4 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 94.62 |
cLogP: | -0.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7685038585 |
MolPort: | MolPort-010-907-121 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-71
0.610
MAR-TRE-b77b7921-93
0.595
MAR-TRE-9c797165-15
0.595
MAR-TRE-67513f76-94
0.593
MAR-TRE-4b834d9a-84
0.585
MAR-TRE-9c797165-89
0.585
MAR-TRE-9c797165-45
0.580
MAR-TRE-9c797165-74
0.553
MAR-TRE-b77b7921-16
0.552
MAR-TRE-b77b7921-2
0.551
MAR-TRE-3e4e6814-12
0.547
MAR-TRE-4b834d9a-37
0.539
MAR-TRE-3e4e6814-36
0.534
MAR-TRE-74c6519b-6
0.534
MAR-TRE-4b834d9a-14
0.528
MAR-TRE-74c6519b-10
0.528
MAR-TRE-b77b7921-4
0.528
MAR-TRE-4b834d9a-6
0.522
MAR-TRE-7f7bb9f0-7
0.516
MAR-TRE-74c6519b-8
0.511
MAR-TRE-4b834d9a-15
0.511
MAR-TRE-04c86cea-1
0.511
MAR-TRE-4b834d9a-12
0.511
MAR-TRE-b77b7921-3
0.511
MAR-TRE-4b834d9a-21
0.505
MAR-TRE-b77b7921-23
0.505
MAR-TRE-d0525fbf-7
0.505
MAR-TRE-b77b7921-61
0.500
MAR-TRE-d0525fbf-5
0.500
MAR-TRE-d0525fbf-4
0.495
MAR-TRE-7f7bb9f0-65
0.494
MAR-TRE-7f7bb9f0-5
0.490
MAR-TRE-9c797165-61
0.440
MAR-TRE-9c797165-40
0.435
MAR-TRE-7f7bb9f0-34
0.420
MAR-TRE-3e4e6814-35
0.406
MAR-TRE-b77b7921-22
0.404
MAR-TRE-74c6519b-9
0.400
MAR-TRE-3e4e6814-7
0.398
MAR-TRE-74c6519b-5
0.390
MAR-TRE-b77b7921-69
0.388
MAR-TRE-d0525fbf-41
0.386
MAR-TRE-4b834d9a-11
0.386
MAR-TRE-4b834d9a-51
0.385
MAR-TRE-4b834d9a-87
0.380
MAR-TRE-4b834d9a-32
0.376
MAR-TRE-74c6519b-7
0.375
MAR-TRE-4b834d9a-4
0.373
MAR-TRE-4b834d9a-20
0.371
MAR-TRE-3e4e6814-10
0.368
MAR-TRE-4b834d9a-9
0.365
MAR-TRE-4b834d9a-10
0.365
MAR-TRE-3e4e6814-20
0.365
MAR-TRE-d0525fbf-100
0.363
MAR-TRE-74c6519b-36
0.363
MAR-TRE-3e4e6814-25
0.346
MAR-TRE-9c797165-18
0.341
MAR-TRE-7f7bb9f0-71
0.333
MAR-TRE-4b834d9a-30
0.327
MAR-TRE-7f7bb9f0-80
0.320
MAR-TRE-74c6519b-3
0.317
MAR-TRE-74c6519b-61
0.315
MAR-TRE-9c797165-36
0.315
MAR-TRE-f6f5f473-89
0.314
MAR-TRE-67513f76-15
0.309
MAR-TRE-3e4e6814-60
0.308
MAR-TRE-67513f76-2
0.306
MAR-TRE-3e4e6814-37
0.306
MAR-TRE-67513f76-27
0.303
MAR-TRE-f6f5f473-54
0.302
MAR-TRE-3e4e6814-75
0.300
DUN-NEW-f8ce3686-13
0.300
MAR-TRE-74c6519b-78
0.300
MAR-TRE-b77b7921-29
0.299
MAR-TRE-3e4e6814-5
0.299
MAR-TRE-67513f76-62
0.296
MAR-TRE-7f7bb9f0-17
0.296
MAR-TRE-7f7bb9f0-85
0.296
MAR-TRE-dab8f6ea-16
0.295
MAR-TRE-74c6519b-75
0.294
MAR-TRE-4b834d9a-7
0.293
MAR-TRE-74c6519b-73
0.293
MAR-TRE-67513f76-18
0.293
MAR-TRE-f6f5f473-70
0.292
MAR-TRE-3e4e6814-69
0.292
MAR-TRE-7f7bb9f0-39
0.292
MAR-TRE-7f7bb9f0-87
0.291
MAR-TRE-4b834d9a-40
0.290
MAR-TRE-04c86cea-77
0.290
MAR-TRE-74c6519b-27
0.288
MAR-TRE-dab8f6ea-20
0.288
MAR-TRE-3e4e6814-1
0.286
MAR-TRE-3e4e6814-14
0.286
MAR-TRE-7f7bb9f0-93
0.286
MAR-TRE-d0525fbf-39
0.284
MAR-TRE-b77b7921-11
0.284
MAR-TRE-f6f5f473-66
0.284
MAR-TRE-7f7bb9f0-57
0.284
MAR-TRE-04c86cea-16
0.283
MAR-TRE-3e4e6814-76
0.283