Molecular Properties | |
SMILES: | CCn1c(=O)c(=O)n(CC(=O)NCc2ccccc2OC)c2cccnc21 |
MW: | 368.15 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 95.22 |
cLogP: | 0.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6531963359 |
MolPort: | MolPort-010-669-944 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-4b834d9a-8
0.727
MAR-TRE-4b834d9a-95
0.724
MAR-TRE-74c6519b-78
0.714
MAR-TRE-04c86cea-12
0.706
MAR-TRE-4b834d9a-33
0.705
MAR-TRE-3e4e6814-5
0.641
MAR-TRE-7f7bb9f0-85
0.633
MAR-TRE-d0525fbf-38
0.625
MAR-TRE-4b834d9a-40
0.617
MAR-TRE-7f7bb9f0-39
0.615
MAR-TRE-74c6519b-73
0.605
MAR-TRE-67513f76-27
0.598
MAR-TRE-04c86cea-70
0.596
MAR-TRE-b77b7921-19
0.585
MAR-TRE-3e4e6814-90
0.581
MAR-TRE-74c6519b-25
0.576
MAR-TRE-4b834d9a-25
0.570
MAR-TRE-04c86cea-25
0.559
MAR-TRE-d0525fbf-28
0.545
MAR-TRE-9c797165-25
0.544
MAR-TRE-9c797165-36
0.537
MAR-TRE-d0525fbf-23
0.533
MAR-TRE-4b834d9a-55
0.523
MAR-TRE-3e4e6814-3
0.518
MAR-TRE-04c86cea-74
0.500
MAR-TRE-4b834d9a-99
0.500
MAR-TRE-4b834d9a-70
0.479
MAR-TRE-74c6519b-77
0.465
MAR-TRE-f6f5f473-66
0.462
MAR-TRE-7f7bb9f0-73
0.461
MAR-TRE-d0525fbf-12
0.459
MAR-TRE-4b834d9a-39
0.456
MAR-TRE-74c6519b-10
0.453
MAR-TRE-d0525fbf-71
0.451
MAR-TRE-7f7bb9f0-17
0.449
MAR-TRE-74c6519b-9
0.449
MAR-TRE-4b834d9a-93
0.444
MAR-TRE-04c86cea-73
0.443
MAR-TRE-4b834d9a-9
0.440
MAR-TRE-d0525fbf-3
0.440
MAR-TRE-4b834d9a-15
0.439
MAR-TRE-b77b7921-29
0.439
MAR-TRE-b77b7921-54
0.433
MAR-TRE-4b834d9a-3
0.432
MAR-TRE-04c86cea-69
0.432
MAR-TRE-4b834d9a-7
0.429
MAR-TRE-4b834d9a-76
0.429
MAR-TRE-9c797165-40
0.426
MAR-TRE-74c6519b-86
0.424
MAR-TRE-04c86cea-55
0.420
MAR-TRE-4b834d9a-54
0.418
MAR-TRE-f6f5f473-68
0.418
MAR-TRE-d0525fbf-2
0.413
MAR-TRE-67513f76-2
0.413
MAR-TRE-04c86cea-45
0.412
MAR-TRE-d0525fbf-4
0.412
MAR-TRE-f6f5f473-12
0.410
MAR-TRE-7f7bb9f0-1
0.410
MAR-TRE-d0525fbf-44
0.410
MAR-TRE-7f7bb9f0-5
0.408
MAR-TRE-d0525fbf-7
0.408
MAR-TRE-74c6519b-45
0.402
MAR-TRE-b77b7921-11
0.400
MAR-TRE-7f7bb9f0-9
0.398
MAR-TRE-d0525fbf-11
0.398
MAR-TRE-b77b7921-27
0.396
MAR-TRE-4b834d9a-2
0.396
MAR-TRE-4b834d9a-23
0.394
MAR-TRE-3159af1a-52
0.392
MAR-TRE-b77b7921-23
0.392
MAR-TRE-f6f5f473-50
0.392
MAR-TRE-4b834d9a-36
0.392
MAR-TRE-d0525fbf-39
0.392
MAR-TRE-b77b7921-43
0.392
MAR-TRE-3e4e6814-12
0.392
MAR-TRE-d0525fbf-70
0.390
MAR-TRE-3e4e6814-7
0.390
MAR-TRE-d0525fbf-79
0.386
MAR-TRE-d0525fbf-21
0.386
MAR-TRE-b77b7921-20
0.385
MAR-TRE-3e4e6814-14
0.384
MAR-TRE-67513f76-18
0.383
MAR-TRE-7f7bb9f0-22
0.382
MAR-TRE-d0525fbf-37
0.382
MAR-TRE-b77b7921-48
0.381
MAR-TRE-3e4e6814-4
0.381
MAR-TRE-d0525fbf-22
0.381
MAR-TRE-b77b7921-4
0.380
MAR-TRE-4b834d9a-14
0.380
MAR-TRE-d0525fbf-41
0.379
MAR-TRE-4b834d9a-11
0.379
MAR-TRE-4b834d9a-37
0.376
MAR-TRE-3e4e6814-72
0.376
MAR-TRE-f6f5f473-26
0.375
MAR-TRE-7f7bb9f0-70
0.375
MAR-TRE-74c6519b-27
0.374
MAR-TRE-b77b7921-2
0.373
MAR-TRE-4b834d9a-18
0.373
MAR-TRE-3e4e6814-21
0.373
MAR-TRE-4b834d9a-47
0.373