Molecular Properties | |
SMILES: | Cn1cc(NC(=O)Nc2ccccn2)c2ccccc2c1=O |
MW: | 294.11 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 76.02 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2157920517 |
MolPort: | MolPort-010-700-513 |
Order Status | |
Shipped: | 2020-07-21 |
Filter82_pyridinium
LON-WEI-4d77710c-49
0.597
LON-WEI-5e7d1b3e-49
0.597
LON-WEI-5e7d1b3e-6
0.527
LON-WEI-4d77710c-6
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LON-WEI-4d77710c-5
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LON-WEI-4d77710c-18
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LON-WEI-5e7d1b3e-5
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LON-WEI-5e7d1b3e-18
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LON-WEI-5e7d1b3e-36
0.519
LON-WEI-4d77710c-36
0.519
LON-WEI-5e7d1b3e-23
0.519
LON-WEI-4d77710c-23
0.519
LON-WEI-5e7d1b3e-12
0.494
LON-WEI-4d77710c-12
0.494
MAT-POS-2492181e-2
0.487
MAT-POS-2492181e-3
0.487
LON-WEI-4d77710c-37
0.481
LON-WEI-5e7d1b3e-37
0.481
MAT-POS-2492181e-1
0.481
LON-WEI-5e7d1b3e-52
0.481
LON-WEI-4d77710c-52
0.481
MAT-POS-4211dce8-1
0.474
MAT-POS-3b92565d-7
0.463
LON-WEI-5e7d1b3e-31
0.457
MAT-POS-2492181e-5
0.457
LON-WEI-4d77710c-31
0.457
LON-WEI-4d77710c-1
0.452
MAT-POS-b5746674-97
0.452
LON-WEI-4d77710c-46
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LON-WEI-5e7d1b3e-46
0.452
LON-WEI-5e7d1b3e-1
0.452
LON-WEI-5e7d1b3e-39
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LON-WEI-4d77710c-39
0.451
MAT-POS-3b92565d-8
0.451
MAT-POS-b5746674-42
0.438
LON-WEI-4d77710c-47
0.438
LON-WEI-5e7d1b3e-47
0.438
LON-WEI-4d77710c-7
0.427
MAT-POS-b5746674-98
0.427
LON-WEI-4d77710c-33
0.427
LON-WEI-5e7d1b3e-7
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LON-WEI-5e7d1b3e-33
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MAT-POS-b5746674-36
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LON-WEI-5e7d1b3e-45
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LON-WEI-4d77710c-45
0.427
LON-WEI-5e7d1b3e-50
0.398
LON-WEI-4d77710c-50
0.398
MAT-POS-b5746674-34
0.398
MAT-POS-3b92565d-9
0.398
LON-WEI-4d77710c-9
0.388
LON-WEI-5e7d1b3e-9
0.388
MAT-POS-b5746674-35
0.381
LON-WEI-5e7d1b3e-21
0.375
LON-WEI-4d77710c-21
0.375
LON-WEI-5e7d1b3e-57
0.361
LON-WEI-4d77710c-57
0.361
MAT-POS-b5746674-38
0.361
LON-WEI-4d77710c-22
0.352
LON-WEI-5e7d1b3e-22
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MAT-POS-b5746674-37
0.347
LON-WEI-4d77710c-59
0.347
LON-WEI-5e7d1b3e-59
0.347
LON-WEI-4d77710c-30
0.326
LON-WEI-5e7d1b3e-30
0.326
LON-WEI-5e7d1b3e-56
0.326
LON-WEI-4d77710c-56
0.326
MAR-TRE-fd17a9b8-67
0.326
MAT-POS-b5746674-99
0.323
LON-WEI-5e7d1b3e-43
0.319
LON-WEI-4d77710c-43
0.319
LON-WEI-5e7d1b3e-4
0.319
LON-WEI-4d77710c-4
0.319
LON-WEI-4d77710c-27
0.315
LON-WEI-5e7d1b3e-27
0.315
MAT-POS-af71705c-2
0.312
LON-WEI-4d77710c-15
0.306
MAT-POS-b5746674-100
0.306
LON-WEI-5e7d1b3e-15
0.306
LON-WEI-4d77710c-29
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LON-WEI-5e7d1b3e-29
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MAT-POS-2492181e-6
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LON-WEI-4d77710c-60
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LON-WEI-5e7d1b3e-60
0.303
LON-WEI-5e7d1b3e-58
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LON-WEI-4d77710c-58
0.298
MAT-POS-2492181e-10
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LON-WEI-4d77710c-51
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LON-WEI-5e7d1b3e-51
0.296
MAT-POS-2492181e-4
0.295
LON-WEI-4d77710c-17
0.295
LON-WEI-5e7d1b3e-17
0.295
MAT-POS-2492181e-12
0.293
MAT-POS-2492181e-11
0.292
LON-WEI-5e7d1b3e-16
0.292
LON-WEI-4d77710c-16
0.292
MAT-POS-b5746674-109
0.292
MAT-POS-b5746674-106
0.291
LON-WEI-4d77710c-44
0.290
LON-WEI-5e7d1b3e-44
0.290
MAT-POS-2492181e-8
0.290