Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCC(C)C)c3cccnc3n12 |
MW: | 314.15 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 0.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9000989509 |
MolPort: | MolPort-010-907-100 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-84
0.730
MAR-TRE-3e4e6814-12
0.724
MAR-TRE-04c86cea-1
0.713
MAR-TRE-9c797165-74
0.711
MAR-TRE-9c797165-89
0.707
MAR-TRE-74c6519b-6
0.705
MAR-TRE-9c797165-15
0.699
MAR-TRE-b77b7921-4
0.696
MAR-TRE-4b834d9a-14
0.696
MAR-TRE-74c6519b-10
0.696
MAR-TRE-4b834d9a-6
0.688
MAR-TRE-4b834d9a-37
0.688
MAR-TRE-3e4e6814-36
0.684
MAR-TRE-b77b7921-16
0.684
MAR-TRE-b77b7921-2
0.679
MAR-TRE-7f7bb9f0-7
0.679
MAR-TRE-67513f76-94
0.671
MAR-TRE-4b834d9a-12
0.671
MAR-TRE-b77b7921-3
0.671
MAR-TRE-4b834d9a-15
0.671
MAR-TRE-74c6519b-8
0.671
MAR-TRE-4b834d9a-21
0.663
MAR-TRE-b77b7921-23
0.663
MAR-TRE-d0525fbf-4
0.647
MAR-TRE-74c6519b-71
0.646
MAR-TRE-d0525fbf-7
0.640
MAR-TRE-7f7bb9f0-5
0.640
MAR-TRE-d0525fbf-5
0.632
MAR-TRE-b77b7921-93
0.630
MAR-TRE-b77b7921-61
0.614
MAR-TRE-7f7bb9f0-29
0.580
MAR-TRE-3e4e6814-7
0.534
MAR-TRE-74c6519b-9
0.533
MAR-TRE-74c6519b-5
0.522
MAR-TRE-4b834d9a-11
0.516
MAR-TRE-b77b7921-22
0.505
MAR-TRE-74c6519b-7
0.500
MAR-TRE-d0525fbf-41
0.500
MAR-TRE-4b834d9a-4
0.500
MAR-TRE-4b834d9a-20
0.495
MAR-TRE-4b834d9a-87
0.495
MAR-TRE-7f7bb9f0-34
0.489
MAR-TRE-4b834d9a-9
0.489
MAR-TRE-4b834d9a-10
0.489
MAR-TRE-67513f76-2
0.416
MAR-TRE-b77b7921-29
0.412
MAR-TRE-67513f76-27
0.411
MAR-TRE-4b834d9a-55
0.411
MAR-TRE-4b834d9a-95
0.411
MAR-TRE-3e4e6814-5
0.409
MAR-TRE-04c86cea-4
0.408
MAR-TRE-74c6519b-78
0.407
MAR-TRE-74c6519b-27
0.404
MAR-TRE-74c6519b-73
0.400
MAR-TRE-7f7bb9f0-85
0.389
MAR-TRE-b77b7921-54
0.389
MAR-TRE-7f7bb9f0-17
0.389
MAR-TRE-b77b7921-11
0.387
MAR-TRE-f6f5f473-66
0.387
MAR-TRE-7f7bb9f0-39
0.386
MAR-TRE-3e4e6814-14
0.385
MAR-TRE-4b834d9a-7
0.385
MAR-TRE-9c797165-36
0.384
MAR-TRE-4b834d9a-2
0.383
MAR-TRE-74c6519b-25
0.383
MAR-TRE-3e4e6814-76
0.381
MAR-TRE-4b834d9a-39
0.380
MAR-TRE-4b834d9a-40
0.380
MAR-TRE-4b834d9a-25
0.379
MAR-TRE-3e4e6814-1
0.378
MAR-TRE-4b834d9a-13
0.378
MAR-TRE-4b834d9a-61
0.378
MAR-TRE-4b834d9a-99
0.376
MAR-TRE-04c86cea-73
0.374
MAR-TRE-4b834d9a-18
0.374
MAR-TRE-3e4e6814-3
0.374
MAR-TRE-4b834d9a-8
0.372
MAR-TRE-4b834d9a-33
0.372
MAR-TRE-67513f76-18
0.370
MAR-TRE-d0525fbf-43
0.368
MAR-TRE-4b834d9a-22
0.366
MAR-TRE-4b834d9a-93
0.363
MAR-TRE-3e4e6814-90
0.361
MAR-TRE-d0525fbf-28
0.361
MAR-TRE-4b834d9a-3
0.361
MAR-TRE-4b834d9a-5
0.360
MAR-TRE-4b834d9a-47
0.360
MAR-TRE-74c6519b-60
0.360
MAR-TRE-7f7bb9f0-9
0.359
MAR-TRE-d0525fbf-11
0.359
MAR-TRE-3e4e6814-69
0.356
MAR-TRE-f6f5f473-94
0.355
MAR-TRE-d0525fbf-23
0.354
MAR-TRE-04c86cea-6
0.353
MAR-TRE-9c797165-25
0.350
MAR-TRE-9c797165-18
0.350
MAR-TRE-d0525fbf-38
0.350
MAR-TRE-04c86cea-69
0.347
MAR-TRE-f6f5f473-34
0.347
MAR-TRE-f6f5f473-55
0.347