Molecular Properties | |
SMILES: | Cc1cc(Cl)ccc1NC(=O)CSc1ncccc1C#N |
MW: | 317.04 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 3.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7972201700 |
MolPort: | MolPort-003-843-964 |
MAR-TRE-0fda4e82-89
0.632
MAR-TRE-1c920f6f-26
0.623
MAR-TRE-0fda4e82-90
0.603
MAR-TRE-14ce9fd6-27
0.597
MAR-TRE-1c920f6f-30
0.595
MAR-TRE-1c920f6f-49
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MAR-TRE-6c5ef77a-51
0.595
MAR-TRE-1c920f6f-3
0.595
MAR-TRE-1c920f6f-74
0.592
MAR-TRE-6c5ef77a-46
0.584
MAR-TRE-14ce9fd6-43
0.584
MAR-TRE-0fda4e82-29
0.575
MAR-TRE-6c5ef77a-20
0.564
MAR-TRE-0fda4e82-47
0.557
MAR-TRE-6c5ef77a-26
0.551
MAR-TRE-1c920f6f-42
0.547
MAR-TRE-6c5ef77a-55
0.547
MAR-TRE-0fda4e82-76
0.537
MAR-TRE-1c920f6f-44
0.537
MAR-TRE-6c5ef77a-14
0.537
MAR-TRE-14ce9fd6-37
0.537
MAR-TRE-1c920f6f-47
0.532
MAR-TRE-0fda4e82-72
0.530
MAR-TRE-6c5ef77a-66
0.526
MAR-TRE-a3327163-15
0.526
MAR-TRE-6c5ef77a-67
0.525
MAR-TRE-6c5ef77a-33
0.512
MAR-TRE-6c5ef77a-64
0.512
MAR-TRE-6c5ef77a-58
0.494
MAR-TRE-14ce9fd6-1
0.469
MAR-TRE-6c5ef77a-93
0.451
MAR-TRE-1c920f6f-10
0.444
MAR-TRE-d0525fbf-93
0.396
MAR-TRE-1c920f6f-82
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MAR-TRE-14ce9fd6-51
0.366
MAR-TRE-74c6519b-44
0.340
MAR-TRE-6c5ef77a-40
0.330
MAR-TRE-0fda4e82-63
0.326
MAR-TRE-a3327163-61
0.326
MAR-TRE-0fda4e82-60
0.320
MAR-TRE-a3327163-20
0.319
MAR-TRE-3159af1a-46
0.317
MAR-TRE-a3327163-24
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MAR-TRE-f5c2d31c-14
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MAR-TRE-a3327163-18
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MAR-TRE-1c920f6f-100
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MAR-TRE-a3327163-82
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MAR-TRE-a3327163-46
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MAR-TRE-1c920f6f-20
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MAR-TRE-a3327163-29
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MAR-TRE-7f7bb9f0-42
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AGN-NEW-c7b24fe3-4
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MAR-TRE-6c5ef77a-74
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MAR-TRE-a3327163-35
0.300
MAR-TRE-a3327163-50
0.300
MAK-UNK-6ca90168-23
0.300
MAR-TRE-6c5ef77a-68
0.299
MAR-TRE-0fda4e82-31
0.299
MAR-TRE-7f7bb9f0-23
0.298
MAR-TRE-6c5ef77a-47
0.296
MAR-TRE-f5c2d31c-6
0.296
MAR-TRE-a3327163-37
0.295
MAR-TRE-d0525fbf-42
0.294
MAR-TRE-6c5ef77a-43
0.292
MAR-TRE-0fda4e82-59
0.290
ASH-SAT-43770c7d-9
0.287
MAR-TRE-a3327163-71
0.287
MAR-TRE-74c6519b-37
0.284
MAR-TRE-a3327163-88
0.284
EDG-MED-0da5ad92-14
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MAR-TRE-6c5ef77a-45
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MAR-TRE-a3327163-92
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MAR-TRE-0fda4e82-82
0.283
EDG-MED-0da5ad92-5
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MAR-TRE-9c797165-27
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MAR-TRE-3e4e6814-95
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MAR-TRE-6c5ef77a-17
0.282
MAR-TRE-7f7bb9f0-48
0.280
MAR-TRE-9c797165-49
0.278
MAR-TRE-a3327163-5
0.277
PET-UNK-6314f867-3
0.276
MAR-TRE-0fda4e82-20
0.276
MAR-TRE-1c920f6f-95
0.276
MAR-TRE-f5c2d31c-94
0.276
MAR-TRE-a3327163-80
0.274
MAK-UNK-849bee6c-1
0.274
MAR-TRE-67513f76-71
0.273
MAR-TRE-1c920f6f-46
0.273
EDG-MED-0da5ad92-7
0.273
MAR-TRE-14ce9fd6-36
0.272
MAR-TRE-0fda4e82-67
0.272
MAR-TRE-f5c2d31c-67
0.272
AGN-NEW-c7b24fe3-1
0.272
AGN-NEW-c7b24fe3-3
0.272
MAR-TRE-a3327163-48
0.272
ANT-DIA-3c79be55-1
0.271
RAL-THA-2d450e86-28
0.270
PET-UNK-dd44aeb6-3
0.270
MAR-TRE-1c920f6f-7
0.270
MAR-TRE-1c920f6f-1
0.269