Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCCc1ccccc1Cl |
MW: | 448.13 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 85.99 |
cLogP: | 2.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6863464883 |
MolPort: | MolPort-010-670-024 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-3e4e6814-90
0.735
MAR-TRE-4b834d9a-93
0.557
MAR-TRE-f6f5f473-89
0.548
MAR-TRE-4b834d9a-95
0.544
MAR-TRE-04c86cea-74
0.505
MAR-TRE-f6f5f473-66
0.500
MAR-TRE-04c86cea-12
0.500
MAR-TRE-4b834d9a-55
0.495
MAR-TRE-74c6519b-36
0.490
MAR-TRE-b77b7921-69
0.490
MAR-TRE-f6f5f473-40
0.480
MAR-TRE-3e4e6814-5
0.478
MAR-TRE-04c86cea-73
0.465
MAR-TRE-04c86cea-92
0.461
MAR-TRE-04c86cea-69
0.455
MAR-TRE-74c6519b-75
0.449
MAR-TRE-7f7bb9f0-39
0.441
MAR-TRE-74c6519b-60
0.437
MAR-TRE-74c6519b-78
0.429
MAR-TRE-f6f5f473-7
0.426
MAR-TRE-04c86cea-88
0.425
MAR-TRE-4b834d9a-33
0.424
MAR-TRE-f6f5f473-54
0.423
MAR-TRE-67513f76-18
0.423
MAR-TRE-f6f5f473-61
0.421
MAR-TRE-d0525fbf-43
0.420
MAR-TRE-04c86cea-27
0.417
MAR-TRE-4b834d9a-76
0.410
MAR-TRE-f6f5f473-92
0.405
MAR-TRE-4b834d9a-25
0.402
MAR-TRE-3e4e6814-72
0.400
MAR-TRE-d0525fbf-12
0.398
MAR-TRE-3e4e6814-3
0.398
MAR-TRE-7f7bb9f0-85
0.398
MAR-TRE-3e4e6814-64
0.394
MAR-TRE-74c6519b-73
0.394
MAR-TRE-74c6519b-25
0.392
MAR-TRE-f6f5f473-50
0.389
MAR-TRE-4b834d9a-51
0.387
MAR-TRE-74c6519b-27
0.385
MAR-TRE-3e4e6814-35
0.382
MAR-TRE-9c797165-36
0.379
MAR-TRE-67513f76-27
0.376
MAR-TRE-4b834d9a-40
0.376
MAR-TRE-74c6519b-20
0.375
MAR-TRE-3e4e6814-12
0.375
MAR-TRE-d0525fbf-29
0.373
MAR-TRE-4b834d9a-99
0.373
MAR-TRE-4b834d9a-8
0.369
MAR-TRE-3e4e6814-14
0.368
MAR-TRE-f6f5f473-94
0.366
MAR-TRE-b77b7921-61
0.363
MAR-TRE-3e4e6814-7
0.361
MAR-TRE-b77b7921-25
0.360
MAR-TRE-3e4e6814-18
0.359
MAR-TRE-4b834d9a-12
0.355
MAR-TRE-04c86cea-14
0.354
MAR-TRE-4b834d9a-2
0.352
MAR-TRE-9c797165-74
0.352
MAR-TRE-74c6519b-10
0.352
MAR-TRE-04c86cea-6
0.351
MAR-TRE-b77b7921-43
0.351
MAR-TRE-74c6519b-4
0.348
MAR-TRE-3e4e6814-1
0.347
MAR-TRE-04c86cea-21
0.346
MAR-TRE-3e4e6814-73
0.346
MAR-TRE-f6f5f473-55
0.346
MAR-TRE-d0525fbf-11
0.345
MAR-TRE-b77b7921-54
0.343
MAR-TRE-7f7bb9f0-17
0.343
MAR-TRE-b77b7921-11
0.343
MAR-TRE-04c86cea-45
0.343
MAR-TRE-b77b7921-29
0.342
MAR-TRE-4b834d9a-15
0.342
MAR-TRE-d0525fbf-7
0.342
MAR-TRE-4b834d9a-28
0.342
MAR-TRE-9c797165-45
0.340
MAR-TRE-4b834d9a-23
0.339
MAR-TRE-4b834d9a-22
0.339
MAR-TRE-b77b7921-28
0.339
MAR-TRE-4b834d9a-39
0.337
MAR-TRE-4b834d9a-6
0.336
MAR-TRE-4b834d9a-13
0.336
MAR-TRE-4b834d9a-50
0.336
MAR-TRE-f6f5f473-93
0.336
MAK-UNK-d1e89583-8
0.333
MAR-TRE-d0525fbf-28
0.333
MAR-TRE-4b834d9a-3
0.333
MAR-TRE-4b834d9a-10
0.333
MAR-TRE-b77b7921-2
0.333
MAR-TRE-04c86cea-60
0.333
MAR-TRE-04c86cea-1
0.330
MAR-TRE-04c86cea-2
0.330
MAR-TRE-f6f5f473-21
0.330
MAR-TRE-d0525fbf-5
0.328
MAR-TRE-b77b7921-8
0.328
MAR-TRE-d0525fbf-39
0.327
MAR-TRE-4b834d9a-21
0.327
MAR-TRE-74c6519b-9
0.327
MAR-TRE-04c86cea-4
0.327