Molecular Properties | |
SMILES: | Cn1c(=O)c(=O)n(CC(=O)N[C@H]2CCCc3ccccc32)c2cccnc21 |
MW: | 364.15 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.99 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-9c797165-18
0.494
MAR-TRE-4b834d9a-2
0.489
MAR-TRE-b77b7921-11
0.479
MAR-TRE-4b834d9a-55
0.473
MAR-TRE-3e4e6814-1
0.473
MAR-TRE-67513f76-91
0.469
MAR-TRE-4b834d9a-99
0.468
MAR-TRE-7f7bb9f0-17
0.467
MAR-TRE-b77b7921-54
0.467
MAR-TRE-4b834d9a-8
0.463
MAR-TRE-67513f76-2
0.462
MAR-TRE-4b834d9a-7
0.462
MAR-TRE-4b834d9a-39
0.457
MAR-TRE-d0525fbf-39
0.451
MAR-TRE-4b834d9a-3
0.449
MAR-TRE-67513f76-18
0.447
MAR-TRE-9c797165-25
0.436
MAR-TRE-d0525fbf-28
0.434
MAR-TRE-7f7bb9f0-57
0.433
MAR-TRE-d0525fbf-23
0.426
MAR-TRE-d0525fbf-100
0.413
MAR-TRE-3e4e6814-72
0.408
MAR-TRE-9c797165-61
0.404
MAR-TRE-74c6519b-71
0.400
MAR-TRE-67513f76-94
0.384
MAR-TRE-74c6519b-3
0.382
MAR-TRE-b77b7921-93
0.379
MAR-TRE-f6f5f473-89
0.379
MAR-TRE-74c6519b-75
0.373
LON-WEI-5e7d1b3e-42
0.370
LON-WEI-4d77710c-42
0.370
MAR-TRE-f6f5f473-54
0.364
MAR-TRE-f6f5f473-70
0.355
MAR-TRE-3e4e6814-75
0.353
MAR-TRE-4b834d9a-25
0.343
MAR-TRE-3e4e6814-5
0.340
MAR-TRE-4b834d9a-84
0.340
MAR-TRE-74c6519b-78
0.340
MAR-TRE-f6f5f473-72
0.339
MAR-TRE-f6f5f473-45
0.339
MAR-TRE-74c6519b-61
0.339
MAR-TRE-b77b7921-16
0.336
MAR-TRE-7f7bb9f0-39
0.333
MAR-TRE-3e4e6814-69
0.333
MAR-TRE-04c86cea-72
0.333
MAR-TRE-f6f5f473-82
0.333
MAR-TRE-74c6519b-25
0.333
MAR-TRE-f6f5f473-53
0.330
MAR-TRE-4b834d9a-95
0.330
MAR-TRE-9c797165-36
0.330
MAR-TRE-f6f5f473-88
0.327
MAR-TRE-9c797165-15
0.327
MAR-TRE-04c86cea-20
0.325
MAR-TRE-04c86cea-25
0.325
MAR-TRE-b77b7921-22
0.324
MAR-TRE-4b834d9a-33
0.324
MAR-TRE-7f7bb9f0-85
0.324
MAR-TRE-3e4e6814-3
0.324
MAR-TRE-7f7bb9f0-87
0.322
MAR-TRE-04c86cea-89
0.322
MAR-TRE-3e4e6814-60
0.321
MAR-TRE-f6f5f473-50
0.321
MAR-TRE-04c86cea-6
0.321
MAR-TRE-f6f5f473-43
0.321
MAR-TRE-74c6519b-10
0.321
MAR-TRE-d0525fbf-43
0.321
MAR-TRE-9c797165-45
0.320
MAR-TRE-74c6519b-73
0.320
MAR-TRE-b77b7921-10
0.319
MAR-TRE-4b834d9a-93
0.319
MAR-TRE-f6f5f473-26
0.319
MAR-TRE-b77b7921-13
0.318
MAR-TRE-3e4e6814-12
0.318
MAR-TRE-67513f76-27
0.317
MAR-TRE-4b834d9a-40
0.317
MAR-TRE-f6f5f473-59
0.316
MAR-TRE-7f7bb9f0-34
0.316
MAR-TRE-f6f5f473-62
0.316
MAR-TRE-f6f5f473-96
0.316
MAR-TRE-04c86cea-60
0.315
MAR-TRE-3e4e6814-18
0.314
MAR-TRE-b77b7921-19
0.314
MAR-TRE-74c6519b-16
0.313
MAR-TRE-04c86cea-9
0.313
MAR-TRE-b77b7921-29
0.312
MAR-TRE-74c6519b-8
0.312
MAR-TRE-f6f5f473-16
0.312
MAR-TRE-04c86cea-56
0.312
MAR-TRE-b77b7921-59
0.312
MAR-TRE-f6f5f473-66
0.311
MAR-TRE-7f7bb9f0-78
0.311
MAR-TRE-b77b7921-61
0.310
MAR-TRE-4b834d9a-20
0.310
MAR-TRE-b77b7921-8
0.310
MAR-TRE-67513f76-62
0.310
MAR-TRE-4b834d9a-21
0.310
MAR-TRE-74c6519b-9
0.310
MAR-TRE-3e4e6814-33
0.309
MAR-TRE-9c797165-74
0.308
MAR-TRE-f6f5f473-94
0.308