Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NC3CCCCC3)c3cccnc3n12 |
MW: | 340.16 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 94.18 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8462582500 |
MolPort: | MolPort-010-907-063 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-71
0.943
MAR-TRE-67513f76-94
0.873
MAR-TRE-b77b7921-16
0.716
MAR-TRE-4b834d9a-84
0.675
MAR-TRE-9c797165-15
0.646
MAR-TRE-9c797165-45
0.630
MAR-TRE-9c797165-74
0.619
MAR-TRE-9c797165-89
0.614
MAR-TRE-7f7bb9f0-29
0.595
MAR-TRE-3e4e6814-12
0.593
MAR-TRE-3e4e6814-36
0.580
MAR-TRE-74c6519b-6
0.580
MAR-TRE-b77b7921-4
0.573
MAR-TRE-4b834d9a-14
0.573
MAR-TRE-74c6519b-10
0.573
MAR-TRE-4b834d9a-6
0.567
MAR-TRE-4b834d9a-37
0.567
MAR-TRE-7f7bb9f0-7
0.560
MAR-TRE-b77b7921-2
0.560
MAR-TRE-b77b7921-61
0.558
MAR-TRE-b77b7921-22
0.554
MAR-TRE-04c86cea-1
0.554
MAR-TRE-4b834d9a-15
0.554
MAR-TRE-4b834d9a-12
0.554
MAR-TRE-b77b7921-3
0.554
MAR-TRE-74c6519b-8
0.554
MAR-TRE-f6f5f473-89
0.551
MAR-TRE-4b834d9a-21
0.548
MAR-TRE-b77b7921-23
0.548
MAR-TRE-7f7bb9f0-5
0.547
MAR-TRE-d0525fbf-5
0.542
MAR-TRE-d0525fbf-4
0.537
MAR-TRE-f6f5f473-70
0.533
MAR-TRE-d0525fbf-7
0.531
MAR-TRE-f6f5f473-54
0.527
MAR-TRE-74c6519b-3
0.522
MAR-TRE-74c6519b-61
0.515
MAR-TRE-7f7bb9f0-34
0.490
MAR-TRE-3e4e6814-75
0.473
MAR-TRE-74c6519b-75
0.462
MAR-TRE-74c6519b-9
0.455
MAR-TRE-3e4e6814-7
0.454
MAR-TRE-74c6519b-5
0.444
MAR-TRE-4b834d9a-11
0.440
MAR-TRE-4b834d9a-87
0.434
MAR-TRE-74c6519b-7
0.427
MAR-TRE-d0525fbf-41
0.426
MAR-TRE-4b834d9a-4
0.426
MAR-TRE-4b834d9a-20
0.423
MAR-TRE-04c86cea-10
0.420
MAR-TRE-4b834d9a-9
0.417
MAR-TRE-4b834d9a-10
0.417
MAR-TRE-04c86cea-8
0.416
MAR-TRE-f6f5f473-15
0.412
MAR-TRE-f6f5f473-53
0.398
MAR-TRE-b77b7921-13
0.382
MAR-TRE-04c86cea-77
0.379
MAR-TRE-b77b7921-59
0.376
MAR-TRE-3159af1a-49
0.367
MAR-TRE-f6f5f473-88
0.365
MAR-TRE-f6f5f473-82
0.359
MAR-TRE-3e4e6814-60
0.358
MAR-TRE-f6f5f473-72
0.352
MAR-TRE-3e4e6814-69
0.347
MAR-TRE-67513f76-62
0.346
MAR-TRE-04c86cea-89
0.345
MAR-TRE-f6f5f473-45
0.339
MAR-TRE-f6f5f473-62
0.339
MAR-TRE-f6f5f473-96
0.339
MAR-TRE-d0525fbf-100
0.336
MAR-TRE-f6f5f473-16
0.336
MAR-TRE-b77b7921-29
0.336
MAR-TRE-04c86cea-11
0.336
MAR-TRE-04c86cea-25
0.336
MAR-TRE-3159af1a-73
0.333
MAR-TRE-7f7bb9f0-39
0.333
MAR-TRE-67513f76-91
0.333
MAR-TRE-f6f5f473-43
0.333
MAR-TRE-f6f5f473-50
0.333
MAR-TRE-3e4e6814-25
0.333
MAR-TRE-f6f5f473-26
0.330
MAR-TRE-14ce9fd6-1
0.330
MAR-TRE-9c797165-36
0.330
MAR-TRE-74c6519b-27
0.327
MAR-TRE-3e4e6814-18
0.327
MAR-TRE-74c6519b-78
0.327
MAR-TRE-3e4e6814-5
0.327
MAR-TRE-9c797165-18
0.326
MAR-TRE-04c86cea-20
0.325
MAR-TRE-74c6519b-16
0.324
MAR-TRE-04c86cea-9
0.324
MAR-TRE-7f7bb9f0-78
0.323
MAR-TRE-7f7bb9f0-71
0.321
MAR-TRE-04c86cea-6
0.321
MAR-TRE-3e4e6814-76
0.321
MAR-TRE-9c797165-78
0.320
MAR-TRE-74c6519b-73
0.320
MAR-TRE-f6f5f473-94
0.320
MAR-TRE-67513f76-2
0.320
MAR-TRE-04c86cea-63
0.318