Molecular Properties | |
SMILES: | Cc1nc2ccc(NC(=O)CSc3ncccc3C#N)cc2[nH]1 |
MW: | 323.08 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 94.46 |
cLogP: | 2.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7870000238 |
MolPort: | MolPort-002-312-801 |
MAR-TRE-14ce9fd6-27
0.625
MAR-TRE-14ce9fd6-43
0.613
MAR-TRE-1c920f6f-26
0.610
MAR-TRE-1c920f6f-30
0.602
MAR-TRE-6c5ef77a-46
0.593
MAR-TRE-1c920f6f-44
0.585
MAR-TRE-14ce9fd6-37
0.583
MAR-TRE-6c5ef77a-66
0.575
MAR-TRE-6c5ef77a-67
0.573
MAR-TRE-0fda4e82-47
0.566
MAR-TRE-6c5ef77a-51
0.565
MAR-TRE-0fda4e82-29
0.565
MAR-TRE-1c920f6f-47
0.562
MAR-TRE-1c920f6f-42
0.557
MAR-TRE-0fda4e82-76
0.548
MAR-TRE-6c5ef77a-96
0.547
MAR-TRE-6c5ef77a-64
0.541
MAR-TRE-0fda4e82-72
0.540
MAR-TRE-1c920f6f-3
0.524
MAR-TRE-6c5ef77a-58
0.523
MAR-TRE-6c5ef77a-20
0.518
MAR-TRE-6c5ef77a-14
0.512
MAR-TRE-6c5ef77a-26
0.506
MAR-TRE-0fda4e82-89
0.506
MAR-TRE-0fda4e82-90
0.500
MAR-TRE-6c5ef77a-33
0.489
MAR-TRE-1c920f6f-74
0.488
MAR-TRE-a3327163-15
0.482
MAR-TRE-1c920f6f-49
0.478
MAR-TRE-6c5ef77a-93
0.448
MAR-TRE-14ce9fd6-1
0.432
MAR-TRE-1c920f6f-10
0.425
MAR-TRE-1c920f6f-82
0.361
MAR-TRE-0fda4e82-31
0.343
MAR-TRE-a3327163-71
0.343
MAR-TRE-1c920f6f-65
0.340
MAR-TRE-a3327163-82
0.340
MAR-TRE-d0525fbf-93
0.340
MAR-TRE-0fda4e82-63
0.330
MAR-TRE-1c920f6f-100
0.330
MAR-TRE-6c5ef77a-47
0.327
MAR-TRE-f5c2d31c-6
0.327
MAR-TRE-1c920f6f-20
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MAR-TRE-0fda4e82-59
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MAR-TRE-0fda4e82-94
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MAR-TRE-6c5ef77a-40
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MAR-TRE-a3327163-88
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MAR-TRE-6c5ef77a-17
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MAR-TRE-a3327163-20
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MAR-TRE-6c5ef77a-32
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MAR-TRE-1c920f6f-95
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MAR-TRE-6c5ef77a-74
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MAR-TRE-a3327163-35
0.305
MAR-TRE-6c5ef77a-68
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MAR-TRE-a3327163-61
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MAR-TRE-a3327163-43
0.302
MAR-TRE-1c920f6f-75
0.301
MAR-TRE-6c5ef77a-45
0.301
MAR-TRE-a3327163-42
0.298
MAR-TRE-6c5ef77a-24
0.296
MAR-TRE-7f7bb9f0-42
0.296
MAR-TRE-0fda4e82-96
0.294
MAR-TRE-a3327163-18
0.292
MAR-TRE-7f7bb9f0-23
0.291
MAR-TRE-a3327163-24
0.289
MAR-TRE-1c920f6f-19
0.287
MAR-TRE-14ce9fd6-7
0.287
MAR-TRE-7f7bb9f0-48
0.286
MAR-TRE-a3327163-29
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MAR-TRE-74c6519b-44
0.282
MAR-TRE-14ce9fd6-6
0.282
MAR-TRE-6c5ef77a-92
0.282
MAR-TRE-0fda4e82-100
0.282
MAR-TRE-6c5ef77a-12
0.280
MAR-TRE-a3327163-50
0.278
MAR-TRE-67513f76-71
0.278
MAR-TRE-6c5ef77a-16
0.276
MAR-TRE-fd17a9b8-12
0.276
MAR-TRE-14ce9fd6-78
0.276
MAR-TRE-0fda4e82-81
0.274
MAR-TRE-0fda4e82-60
0.274
MAR-TRE-6c5ef77a-35
0.274
MAR-TRE-9c797165-49
0.272
MAR-TRE-a3327163-53
0.271
MAR-TRE-0fda4e82-56
0.271
MAR-TRE-a3327163-37
0.271
MAR-TRE-c8530538-39
0.269
MAR-TRE-a3327163-80
0.267
MAR-TRE-a3327163-40
0.267
MAR-TRE-0fda4e82-67
0.266
MAR-TRE-0fda4e82-84
0.265
MAR-TRE-6c5ef77a-48
0.264
MAR-TRE-0fda4e82-11
0.263
MAR-TRE-9c797165-76
0.263
MAR-TRE-a3327163-32
0.263
MAR-TRE-fd17a9b8-23
0.262
MAR-TRE-14ce9fd6-59
0.261
MAR-TRE-a3327163-54
0.261
MAR-TRE-0fda4e82-14
0.260
DAR-DIA-842b4336-19
0.260