Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)c(=O)n(C)c3ncccc32)o1 |
MW: | 328.12 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 99.13 |
cLogP: | 0.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-7f7bb9f0-17
0.736
MAR-TRE-67513f76-27
0.716
MAR-TRE-4b834d9a-39
0.649
MAR-TRE-4b834d9a-7
0.636
MAR-TRE-4b834d9a-55
0.628
MAR-TRE-b77b7921-54
0.623
MAR-TRE-67513f76-18
0.615
MAR-TRE-b77b7921-11
0.613
MAR-TRE-4b834d9a-99
0.600
MAR-TRE-3e4e6814-86
0.595
MAR-TRE-4b834d9a-8
0.593
MAR-TRE-4b834d9a-3
0.590
MAR-TRE-9c797165-18
0.588
MAR-TRE-4b834d9a-2
0.585
MAR-TRE-9c797165-85
0.581
MAR-TRE-d0525fbf-23
0.576
MAR-TRE-d0525fbf-28
0.571
MAR-TRE-9c797165-25
0.570
MAR-TRE-d0525fbf-39
0.551
MAR-TRE-7f7bb9f0-57
0.536
MAR-TRE-7f7bb9f0-85
0.524
MAR-TRE-67513f76-91
0.523
MAR-TRE-3e4e6814-1
0.512
MAR-TRE-3e4e6814-72
0.500
MAR-TRE-74c6519b-78
0.471
MAR-TRE-04c86cea-77
0.462
MAR-TRE-9c797165-61
0.449
MAR-TRE-74c6519b-73
0.448
MAR-TRE-4b834d9a-40
0.443
MAR-TRE-4b834d9a-95
0.443
MAR-TRE-3e4e6814-5
0.442
MAR-TRE-74c6519b-92
0.441
MAR-TRE-f6f5f473-66
0.433
MAR-TRE-74c6519b-25
0.429
MAR-TRE-74c6519b-10
0.426
MAR-TRE-4b834d9a-33
0.418
MAR-TRE-4b834d9a-47
0.417
MAR-TRE-9c797165-45
0.416
MAR-TRE-3e4e6814-14
0.415
MAR-TRE-d0525fbf-43
0.413
MAR-TRE-d0525fbf-100
0.412
MAR-TRE-b77b7921-29
0.412
MAR-TRE-9c797165-23
0.411
MAR-TRE-3e4e6814-33
0.411
MAR-TRE-d0525fbf-22
0.410
MAR-TRE-4b834d9a-25
0.409
MAR-TRE-3e4e6814-12
0.409
MAR-TRE-74c6519b-9
0.408
MAR-TRE-4b834d9a-37
0.406
MAR-TRE-4b834d9a-93
0.404
MAR-TRE-7f7bb9f0-39
0.402
MAR-TRE-04c86cea-73
0.402
MAR-TRE-4b834d9a-5
0.402
MAR-TRE-4b834d9a-18
0.402
MAR-TRE-74c6519b-6
0.400
MAR-TRE-9c797165-6
0.398
MAR-TRE-7f7bb9f0-87
0.397
MAR-TRE-4b834d9a-14
0.396
MAR-TRE-b77b7921-4
0.396
MAR-TRE-4b834d9a-22
0.394
MAR-TRE-b77b7921-23
0.394
MAR-TRE-f6f5f473-68
0.392
MAR-TRE-4b834d9a-6
0.392
MAR-TRE-4b834d9a-84
0.391
MAR-TRE-d0525fbf-38
0.390
MAR-TRE-9c797165-53
0.389
MAR-TRE-7f7bb9f0-7
0.388
MAR-TRE-b77b7921-2
0.388
MAR-TRE-04c86cea-74
0.386
MAR-TRE-4b834d9a-15
0.384
MAR-TRE-4b834d9a-12
0.384
MAR-TRE-74c6519b-5
0.384
MAR-TRE-74c6519b-8
0.384
MAR-TRE-74c6519b-86
0.384
MAR-TRE-b77b7921-3
0.384
MAR-TRE-04c86cea-1
0.384
MAR-TRE-04c86cea-12
0.382
MAR-TRE-d0525fbf-41
0.380
MAR-TRE-4b834d9a-21
0.380
MAR-TRE-d0525fbf-5
0.379
MAR-TRE-4b834d9a-61
0.378
MAR-TRE-3e4e6814-7
0.378
MAR-TRE-74c6519b-27
0.375
MAR-TRE-f6f5f473-34
0.375
MAR-TRE-f6f5f473-55
0.375
MAR-TRE-b77b7921-10
0.374
MAR-TRE-3e4e6814-21
0.374
MAR-TRE-d0525fbf-4
0.373
MAR-TRE-74c6519b-39
0.371
MAR-TRE-b77b7921-16
0.371
MAR-TRE-04c86cea-80
0.371
MAR-TRE-04c86cea-56
0.370
MAR-TRE-f6f5f473-94
0.370
MAR-TRE-7f7bb9f0-5
0.369
MAR-TRE-d0525fbf-7
0.369
MAR-TRE-74c6519b-7
0.369
MAR-TRE-b77b7921-26
0.369
MAR-TRE-3159af1a-71
0.368
MAR-TRE-9c797165-74
0.368
MAR-TRE-9c797165-36
0.368