Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NC3CC3)c3cccnc3n12 |
MW: | 298.12 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 94.18 |
cLogP: | 0.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-71
0.899
MAR-TRE-b77b7921-93
0.873
MAR-TRE-4b834d9a-84
0.720
MAR-TRE-9c797165-15
0.689
MAR-TRE-b77b7921-16
0.675
MAR-TRE-9c797165-45
0.671
MAR-TRE-9c797165-74
0.658
MAR-TRE-9c797165-89
0.654
MAR-TRE-3e4e6814-12
0.630
MAR-TRE-3e4e6814-36
0.614
MAR-TRE-74c6519b-6
0.614
MAR-TRE-74c6519b-10
0.607
MAR-TRE-4b834d9a-14
0.607
MAR-TRE-b77b7921-4
0.607
MAR-TRE-4b834d9a-6
0.600
MAR-TRE-4b834d9a-37
0.600
MAR-TRE-4b834d9a-21
0.598
MAR-TRE-7f7bb9f0-7
0.593
MAR-TRE-b77b7921-2
0.593
MAR-TRE-7f7bb9f0-29
0.593
MAR-TRE-74c6519b-8
0.586
MAR-TRE-4b834d9a-12
0.586
MAR-TRE-b77b7921-3
0.586
MAR-TRE-04c86cea-1
0.586
MAR-TRE-4b834d9a-15
0.586
MAR-TRE-b77b7921-23
0.580
MAR-TRE-7f7bb9f0-5
0.578
MAR-TRE-b77b7921-61
0.571
MAR-TRE-d0525fbf-4
0.567
MAR-TRE-d0525fbf-7
0.560
MAR-TRE-d0525fbf-5
0.554
MAR-TRE-74c6519b-75
0.523
MAR-TRE-b77b7921-22
0.516
MAR-TRE-7f7bb9f0-34
0.500
MAR-TRE-74c6519b-3
0.483
MAR-TRE-74c6519b-9
0.479
MAR-TRE-3e4e6814-7
0.478
MAR-TRE-74c6519b-5
0.468
MAR-TRE-4b834d9a-11
0.463
MAR-TRE-f6f5f473-89
0.462
MAR-TRE-4b834d9a-20
0.459
MAR-TRE-f6f5f473-54
0.457
MAR-TRE-4b834d9a-87
0.457
MAR-TRE-74c6519b-7
0.449
MAR-TRE-d0525fbf-41
0.448
MAR-TRE-4b834d9a-4
0.448
MAR-TRE-f6f5f473-70
0.447
MAR-TRE-4b834d9a-9
0.439
MAR-TRE-4b834d9a-10
0.439
MAR-TRE-74c6519b-61
0.436
MAR-TRE-3e4e6814-75
0.433
MAR-TRE-04c86cea-77
0.384
MAR-TRE-3e4e6814-60
0.363
MAR-TRE-f6f5f473-53
0.361
MAR-TRE-b77b7921-29
0.353
MAR-TRE-3e4e6814-69
0.352
MAR-TRE-7f7bb9f0-39
0.352
MAR-TRE-67513f76-62
0.350
MAR-TRE-9c797165-36
0.348
MAR-TRE-b77b7921-13
0.347
MAR-TRE-9c797165-18
0.346
MAR-TRE-3e4e6814-5
0.344
MAR-TRE-74c6519b-78
0.344
MAR-TRE-3e4e6814-18
0.344
MAR-TRE-74c6519b-27
0.343
MAR-TRE-04c86cea-10
0.343
MAR-TRE-7f7bb9f0-78
0.340
MAR-TRE-b77b7921-59
0.340
MAR-TRE-04c86cea-8
0.340
MAR-TRE-74c6519b-73
0.337
MAR-TRE-f6f5f473-94
0.337
MAR-TRE-67513f76-2
0.337
MAR-TRE-9c797165-78
0.337
MAR-TRE-4b834d9a-2
0.337
MAR-TRE-67513f76-91
0.337
MAR-TRE-3e4e6814-76
0.337
MAR-TRE-f6f5f473-15
0.337
MAR-TRE-04c86cea-6
0.337
MAR-TRE-67513f76-27
0.333
MAR-TRE-4b834d9a-25
0.333
MAR-TRE-f6f5f473-59
0.330
MAR-TRE-f6f5f473-88
0.330
MAR-TRE-f6f5f473-34
0.330
MAR-TRE-f6f5f473-55
0.330
MAR-TRE-3e4e6814-1
0.330
MAR-TRE-b77b7921-7
0.327
MAR-TRE-04c86cea-27
0.327
MAR-TRE-74c6519b-86
0.327
MAR-TRE-d0525fbf-100
0.327
MAR-TRE-3e4e6814-14
0.327
MAR-TRE-7f7bb9f0-93
0.327
MAR-TRE-74c6519b-39
0.327
MAR-TRE-f6f5f473-66
0.327
MAR-TRE-b77b7921-11
0.327
MAR-TRE-7f7bb9f0-17
0.326
MAR-TRE-3e4e6814-3
0.326
MAR-TRE-b77b7921-54
0.326
MAR-TRE-7f7bb9f0-85
0.326
MAR-TRE-b77b7921-8
0.324
MAR-TRE-d0525fbf-94
0.324