Molecular Properties | |
SMILES: | CCc1nnc2c(=O)n(CC(=O)NCc3ccccc3)c3cccnc3n12 |
MW: | 362.15 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.18 |
cLogP: | 1.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8800366848 |
MolPort: | MolPort-010-907-142 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-5
0.802
MAR-TRE-4b834d9a-4
0.793
MAR-TRE-4b834d9a-11
0.793
MAR-TRE-4b834d9a-10
0.753
MAR-TRE-3e4e6814-12
0.750
MAR-TRE-74c6519b-7
0.744
MAR-TRE-4b834d9a-20
0.736
MAR-TRE-74c6519b-9
0.709
MAR-TRE-4b834d9a-9
0.693
MAR-TRE-d0525fbf-41
0.690
MAR-TRE-4b834d9a-87
0.648
MAR-TRE-b77b7921-4
0.644
MAR-TRE-b77b7921-22
0.640
MAR-TRE-7f7bb9f0-34
0.620
MAR-TRE-74c6519b-6
0.614
MAR-TRE-4b834d9a-14
0.607
MAR-TRE-3e4e6814-5
0.602
MAR-TRE-4b834d9a-6
0.600
MAR-TRE-b77b7921-3
0.587
MAR-TRE-04c86cea-1
0.587
MAR-TRE-b77b7921-2
0.576
MAR-TRE-7f7bb9f0-7
0.576
MAR-TRE-4b834d9a-12
0.570
MAR-TRE-74c6519b-8
0.570
MAR-TRE-74c6519b-27
0.567
MAR-TRE-4b834d9a-21
0.564
MAR-TRE-74c6519b-10
0.554
MAR-TRE-9c797165-45
0.534
MAR-TRE-3e4e6814-14
0.527
MAR-TRE-d0525fbf-5
0.525
MAR-TRE-4b834d9a-15
0.521
MAR-TRE-f6f5f473-94
0.517
MAR-TRE-4b834d9a-37
0.516
MAR-TRE-9c797165-89
0.505
MAR-TRE-4b834d9a-84
0.505
MAR-TRE-b77b7921-23
0.500
MAR-TRE-04c86cea-6
0.500
MAR-TRE-9c797165-74
0.495
MAR-TRE-d0525fbf-4
0.490
MAR-TRE-b77b7921-54
0.489
MAR-TRE-7f7bb9f0-5
0.485
MAR-TRE-d0525fbf-7
0.485
MAR-TRE-f6f5f473-55
0.484
MAR-TRE-b77b7921-16
0.479
MAR-TRE-3e4e6814-36
0.479
MAR-TRE-67513f76-94
0.478
MAR-TRE-9c797165-15
0.478
MAR-TRE-4b834d9a-23
0.474
MAR-TRE-3e4e6814-73
0.469
MAR-TRE-74c6519b-73
0.467
MAR-TRE-74c6519b-71
0.463
MAR-TRE-f6f5f473-82
0.459
MAR-TRE-b77b7921-93
0.454
MAR-TRE-b77b7921-61
0.452
MAR-TRE-4b834d9a-39
0.447
MAR-TRE-04c86cea-4
0.441
MAR-TRE-4b834d9a-13
0.440
MAR-TRE-f6f5f473-34
0.439
MAR-TRE-f6f5f473-66
0.438
MAR-TRE-74c6519b-25
0.433
MAR-TRE-4b834d9a-25
0.429
MAR-TRE-4b834d9a-52
0.426
MAR-TRE-7f7bb9f0-85
0.426
MAR-TRE-4b834d9a-3
0.424
MAR-TRE-04c86cea-21
0.424
MAR-TRE-04c86cea-52
0.424
MAR-TRE-f6f5f473-20
0.424
MAR-TRE-4b834d9a-93
0.423
MAR-TRE-b77b7921-11
0.423
MAR-TRE-b77b7921-46
0.422
MAR-TRE-4b834d9a-2
0.418
MAR-TRE-74c6519b-78
0.412
MAR-TRE-b77b7921-1
0.412
MAR-TRE-7f7bb9f0-17
0.411
MAR-TRE-d0525fbf-79
0.408
MAR-TRE-4b834d9a-5
0.408
MAR-TRE-4b834d9a-18
0.408
MAR-TRE-04c86cea-73
0.408
MAR-TRE-04c86cea-58
0.406
MAR-TRE-b77b7921-29
0.404
MAR-TRE-f6f5f473-21
0.404
MAR-TRE-4b834d9a-95
0.402
MAR-TRE-4b834d9a-22
0.400
MAR-TRE-04c86cea-23
0.400
MAR-TRE-7f7bb9f0-29
0.398
MAR-TRE-74c6519b-45
0.396
MAR-TRE-04c86cea-60
0.394
MAR-TRE-4b834d9a-33
0.394
MAR-TRE-3159af1a-14
0.392
MAR-TRE-04c86cea-2
0.390
MAR-TRE-d0525fbf-43
0.390
MAR-TRE-d0525fbf-22
0.389
MAR-TRE-b77b7921-5
0.389
MAR-TRE-b77b7921-7
0.389
MAR-TRE-67513f76-27
0.388
MAR-TRE-4b834d9a-40
0.388
MAR-TRE-4b834d9a-55
0.388
MAR-TRE-b77b7921-8
0.385
MAR-TRE-4b834d9a-99
0.384
MAR-TRE-74c6519b-60
0.381