Molecular Properties | |
SMILES: | Cc1cccc(CNC(=O)Cn2c(=O)c3nnc(C)n3c3ncccc32)c1 |
MW: | 362.15 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3058383062 |
MolPort: | MolPort-010-907-041 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-12
0.805
MAR-TRE-4b834d9a-21
0.795
MAR-TRE-74c6519b-7
0.767
MAR-TRE-3e4e6814-12
0.753
MAR-TRE-b77b7921-2
0.750
MAR-TRE-74c6519b-6
0.735
MAR-TRE-7f7bb9f0-7
0.709
MAR-TRE-4b834d9a-14
0.706
MAR-TRE-b77b7921-4
0.706
MAR-TRE-d0525fbf-5
0.700
MAR-TRE-4b834d9a-6
0.698
MAR-TRE-04c86cea-1
0.682
MAR-TRE-b77b7921-3
0.682
MAR-TRE-b77b7921-23
0.674
MAR-TRE-9c797165-45
0.671
MAR-TRE-74c6519b-10
0.648
MAR-TRE-b77b7921-11
0.647
MAR-TRE-4b834d9a-15
0.644
MAR-TRE-4b834d9a-37
0.640
MAR-TRE-74c6519b-25
0.640
MAR-TRE-4b834d9a-84
0.635
MAR-TRE-7f7bb9f0-5
0.634
MAR-TRE-9c797165-15
0.627
MAR-TRE-d0525fbf-4
0.624
MAR-TRE-9c797165-74
0.621
MAR-TRE-d0525fbf-7
0.617
MAR-TRE-4b834d9a-20
0.611
MAR-TRE-4b834d9a-10
0.606
MAR-TRE-b77b7921-16
0.600
MAR-TRE-9c797165-89
0.598
MAR-TRE-67513f76-94
0.586
MAR-TRE-3e4e6814-7
0.570
MAR-TRE-74c6519b-71
0.567
MAR-TRE-3e4e6814-36
0.565
MAR-TRE-b77b7921-61
0.561
MAR-TRE-74c6519b-5
0.558
MAR-TRE-b77b7921-93
0.554
MAR-TRE-74c6519b-70
0.546
MAR-TRE-4b834d9a-11
0.536
MAR-TRE-f6f5f473-72
0.525
MAR-TRE-4b834d9a-4
0.520
MAR-TRE-3e4e6814-2
0.520
MAR-TRE-7f7bb9f0-29
0.511
MAR-TRE-74c6519b-9
0.505
MAR-TRE-4b834d9a-2
0.500
MAR-TRE-4b834d9a-25
0.495
MAR-TRE-4b834d9a-9
0.480
MAR-TRE-d0525fbf-41
0.475
MAR-TRE-4b834d9a-22
0.475
MAR-TRE-4b834d9a-3
0.474
MAR-TRE-74c6519b-27
0.459
MAR-TRE-3e4e6814-5
0.452
MAR-TRE-b77b7921-22
0.451
MAR-TRE-d0525fbf-22
0.448
MAR-TRE-b77b7921-8
0.443
MAR-TRE-f6f5f473-22
0.442
MAR-TRE-74c6519b-73
0.442
MAR-TRE-3e4e6814-14
0.440
MAR-TRE-7f7bb9f0-34
0.438
MAR-TRE-f6f5f473-66
0.429
MAR-TRE-4b834d9a-69
0.427
MAR-TRE-04c86cea-60
0.427
MAR-TRE-b77b7921-10
0.423
MAR-TRE-04c86cea-4
0.419
MAR-TRE-04c86cea-72
0.419
MAR-TRE-4b834d9a-13
0.417
MAR-TRE-b77b7921-54
0.417
MAR-TRE-04c86cea-33
0.417
MAR-TRE-3159af1a-4
0.416
MAR-TRE-4b834d9a-87
0.413
MAR-TRE-4b834d9a-18
0.413
MAR-TRE-04c86cea-73
0.413
MAR-TRE-f6f5f473-45
0.411
MAR-TRE-04c86cea-58
0.411
MAR-TRE-f6f5f473-96
0.411
MAR-TRE-b77b7921-29
0.410
MAR-TRE-4b834d9a-39
0.408
MAR-TRE-d0525fbf-6
0.407
MAR-TRE-04c86cea-6
0.406
MAR-TRE-d0525fbf-39
0.406
MAR-TRE-d0525fbf-8
0.404
MAR-TRE-f6f5f473-55
0.402
MAR-TRE-d0525fbf-68
0.400
MAR-TRE-4b834d9a-5
0.400
MAR-TRE-f6f5f473-94
0.398
MAR-TRE-b77b7921-48
0.394
MAR-TRE-04c86cea-20
0.393
MAR-TRE-74c6519b-78
0.390
MAR-TRE-74c6519b-45
0.389
MAR-TRE-f6f5f473-34
0.388
MAR-TRE-7f7bb9f0-17
0.388
MAR-TRE-7f7bb9f0-85
0.388
MAR-TRE-04c86cea-80
0.385
MAR-TRE-67513f76-2
0.384
MAR-TRE-b77b7921-7
0.382
MAR-TRE-f6f5f473-43
0.381
MAR-TRE-b77b7921-99
0.381
MAR-TRE-67513f76-27
0.380
MAR-TRE-d0525fbf-70
0.378
MAR-TRE-4b834d9a-61
0.377