Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)c3nnc(C)n3c3ncccc32)cc1C |
MW: | 376.16 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1792239364 |
MolPort: | MolPort-010-907-109 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-12
0.793
MAR-TRE-3e4e6814-12
0.762
MAR-TRE-74c6519b-8
0.750
MAR-TRE-74c6519b-6
0.744
MAR-TRE-4b834d9a-21
0.741
MAR-TRE-b77b7921-4
0.735
MAR-TRE-4b834d9a-14
0.735
MAR-TRE-d0525fbf-5
0.727
MAR-TRE-4b834d9a-6
0.726
MAR-TRE-7f7bb9f0-7
0.718
MAR-TRE-b77b7921-3
0.709
MAR-TRE-04c86cea-1
0.709
MAR-TRE-b77b7921-23
0.682
MAR-TRE-9c797165-45
0.679
MAR-TRE-74c6519b-10
0.655
MAR-TRE-4b834d9a-15
0.652
MAR-TRE-d0525fbf-4
0.648
MAR-TRE-4b834d9a-37
0.648
MAR-TRE-9c797165-74
0.647
MAR-TRE-4b834d9a-84
0.643
MAR-TRE-7f7bb9f0-5
0.641
MAR-TRE-d0525fbf-7
0.624
MAR-TRE-9c797165-15
0.614
MAR-TRE-b77b7921-16
0.607
MAR-TRE-4b834d9a-10
0.596
MAR-TRE-67513f76-94
0.593
MAR-TRE-9c797165-89
0.586
MAR-TRE-b77b7921-61
0.583
MAR-TRE-3e4e6814-7
0.576
MAR-TRE-74c6519b-71
0.573
MAR-TRE-74c6519b-7
0.573
MAR-TRE-3e4e6814-36
0.571
MAR-TRE-4b834d9a-20
0.567
MAR-TRE-74c6519b-5
0.564
MAR-TRE-b77b7921-93
0.560
MAR-TRE-4b834d9a-11
0.558
MAR-TRE-7f7bb9f0-29
0.551
MAR-TRE-4b834d9a-4
0.542
MAR-TRE-74c6519b-9
0.510
MAR-TRE-4b834d9a-9
0.485
MAR-TRE-d0525fbf-41
0.480
MAR-TRE-4b834d9a-22
0.465
MAR-TRE-b77b7921-11
0.463
MAR-TRE-74c6519b-25
0.458
MAR-TRE-4b834d9a-2
0.458
MAR-TRE-3e4e6814-5
0.457
MAR-TRE-b77b7921-22
0.455
MAR-TRE-4b834d9a-25
0.454
MAR-TRE-74c6519b-27
0.449
MAR-TRE-74c6519b-73
0.447
MAR-TRE-3e4e6814-14
0.444
MAR-TRE-7f7bb9f0-34
0.442
MAR-TRE-b77b7921-54
0.436
MAR-TRE-4b834d9a-3
0.434
MAR-TRE-b77b7921-8
0.434
MAR-TRE-f6f5f473-66
0.433
MAR-TRE-74c6519b-45
0.433
MAR-TRE-4b834d9a-18
0.431
MAR-TRE-4b834d9a-39
0.427
MAR-TRE-04c86cea-4
0.423
MAR-TRE-d0525fbf-39
0.423
MAR-TRE-4b834d9a-13
0.422
MAR-TRE-04c86cea-73
0.417
MAR-TRE-4b834d9a-5
0.417
MAR-TRE-4b834d9a-87
0.417
MAR-TRE-d0525fbf-22
0.411
MAR-TRE-b77b7921-48
0.411
MAR-TRE-04c86cea-6
0.410
MAR-TRE-d0525fbf-70
0.407
MAR-TRE-f6f5f473-34
0.406
MAR-TRE-04c86cea-60
0.404
MAR-TRE-f6f5f473-94
0.402
MAR-TRE-b77b7921-29
0.400
MAR-TRE-d0525fbf-6
0.398
MAR-TRE-b77b7921-7
0.398
MAR-TRE-74c6519b-78
0.394
MAR-TRE-74c6519b-70
0.393
MAR-TRE-f6f5f473-22
0.393
MAR-TRE-f6f5f473-55
0.392
MAR-TRE-04c86cea-52
0.392
MAR-TRE-7f7bb9f0-17
0.392
MAR-TRE-7f7bb9f0-85
0.392
MAR-TRE-4b834d9a-69
0.390
MAR-TRE-b77b7921-10
0.389
MAR-TRE-f6f5f473-96
0.389
MAR-TRE-04c86cea-58
0.389
MAR-TRE-74c6519b-39
0.388
MAR-TRE-67513f76-2
0.388
MAR-TRE-b77b7921-5
0.385
MAR-TRE-67513f76-27
0.384
MAR-TRE-f6f5f473-17
0.381
MAR-TRE-9c797165-25
0.381
MAR-TRE-74c6519b-30
0.381
MAR-TRE-4b834d9a-99
0.380
MAR-TRE-4b834d9a-93
0.380
MAR-TRE-f6f5f473-20
0.379
MAR-TRE-3e4e6814-73
0.379
MAR-TRE-04c86cea-21
0.379
MAR-TRE-d0525fbf-79
0.377
MAR-TRE-74c6519b-60
0.377