Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NC(C)(C)C)c3cccnc3n12 |
MW: | 314.15 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 94.18 |
cLogP: | 0.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-907-068 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-9c797165-45
0.699
MAR-TRE-67513f76-94
0.689
MAR-TRE-9c797165-89
0.680
MAR-TRE-4b834d9a-84
0.680
MAR-TRE-9c797165-74
0.662
MAR-TRE-74c6519b-71
0.662
MAR-TRE-3e4e6814-36
0.658
MAR-TRE-3e4e6814-12
0.654
MAR-TRE-b77b7921-93
0.646
MAR-TRE-74c6519b-6
0.637
MAR-TRE-b77b7921-16
0.637
MAR-TRE-4b834d9a-14
0.630
MAR-TRE-74c6519b-10
0.630
MAR-TRE-b77b7921-4
0.630
MAR-TRE-74c6519b-8
0.627
MAR-TRE-4b834d9a-6
0.622
MAR-TRE-4b834d9a-37
0.622
MAR-TRE-b77b7921-2
0.614
MAR-TRE-7f7bb9f0-7
0.614
MAR-TRE-4b834d9a-12
0.607
MAR-TRE-4b834d9a-15
0.607
MAR-TRE-b77b7921-3
0.607
MAR-TRE-04c86cea-1
0.607
MAR-TRE-4b834d9a-21
0.600
MAR-TRE-b77b7921-23
0.600
MAR-TRE-7f7bb9f0-29
0.595
MAR-TRE-d0525fbf-4
0.586
MAR-TRE-7f7bb9f0-5
0.580
MAR-TRE-d0525fbf-7
0.580
MAR-TRE-d0525fbf-5
0.573
MAR-TRE-b77b7921-61
0.573
MAR-TRE-74c6519b-9
0.478
MAR-TRE-3e4e6814-7
0.478
MAR-TRE-4b834d9a-87
0.473
MAR-TRE-74c6519b-5
0.467
MAR-TRE-b77b7921-22
0.467
MAR-TRE-7f7bb9f0-78
0.464
MAR-TRE-74c6519b-7
0.463
MAR-TRE-4b834d9a-11
0.462
MAR-TRE-7f7bb9f0-34
0.453
MAR-TRE-d0525fbf-41
0.447
MAR-TRE-4b834d9a-4
0.447
MAR-TRE-4b834d9a-20
0.443
MAR-TRE-4b834d9a-9
0.438
MAR-TRE-4b834d9a-10
0.438
MAR-TRE-d0525fbf-24
0.384
MAR-TRE-9c797165-18
0.377
MAR-TRE-3e4e6814-1
0.371
MAR-TRE-b77b7921-11
0.366
MAR-TRE-b77b7921-29
0.364
MAR-TRE-67513f76-2
0.363
MAR-TRE-3e4e6814-76
0.361
MAR-TRE-9c797165-36
0.360
MAR-TRE-3e4e6814-5
0.356
MAR-TRE-74c6519b-78
0.355
MAR-TRE-74c6519b-27
0.354
MAR-TRE-7f7bb9f0-17
0.352
MAR-TRE-3e4e6814-3
0.352
MAR-TRE-b77b7921-54
0.352
MAR-TRE-7f7bb9f0-39
0.348
MAR-TRE-4b834d9a-7
0.348
MAR-TRE-74c6519b-73
0.348
MAR-TRE-67513f76-18
0.348
MAR-TRE-4b834d9a-2
0.347
MAR-TRE-74c6519b-25
0.347
MAR-TRE-67513f76-27
0.344
MAR-TRE-4b834d9a-39
0.344
MAR-TRE-4b834d9a-55
0.344
MAR-TRE-4b834d9a-99
0.340
MAR-TRE-7f7bb9f0-85
0.337
MAR-TRE-7f7bb9f0-57
0.337
MAR-TRE-4b834d9a-8
0.337
MAR-TRE-f6f5f473-66
0.337
MAR-TRE-7f7bb9f0-93
0.337
MAR-TRE-3e4e6814-14
0.337
MAR-TRE-d0525fbf-13
0.333
MAR-TRE-d0525fbf-23
0.333
MAR-TRE-74c6519b-75
0.333
MAR-TRE-04c86cea-4
0.333
MAR-TRE-3e4e6814-69
0.333
MAR-TRE-4b834d9a-13
0.330
MAR-TRE-4b834d9a-61
0.330
MAR-TRE-4b834d9a-25
0.330
MAR-TRE-74c6519b-3
0.330
MAR-TRE-4b834d9a-40
0.330
MAR-TRE-4b834d9a-95
0.330
MAR-TRE-4b834d9a-18
0.327
MAR-TRE-04c86cea-73
0.327
MAR-TRE-04c86cea-77
0.327
MAR-TRE-f6f5f473-40
0.327
MAR-TRE-74c6519b-60
0.327
MAR-TRE-d0525fbf-28
0.327
MAR-TRE-4b834d9a-3
0.327
MAR-TRE-67513f76-52
0.324
MAR-TRE-9c797165-92
0.323
MAR-TRE-9c797165-61
0.323
MAR-TRE-4b834d9a-33
0.323
MAR-TRE-4b834d9a-22
0.320
MAR-TRE-67513f76-91
0.320
MAR-TRE-d0525fbf-43
0.320