Molecular Properties | |
SMILES: | N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCCCC2 |
MW: | 344.08 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 3.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1637706807 |
MolPort: | MolPort-002-310-280 |
MAR-TRE-1c920f6f-46
0.924
MAR-TRE-0fda4e82-20
0.853
MAR-TRE-1c920f6f-51
0.701
MAR-TRE-1c920f6f-4
0.700
MAR-TRE-14ce9fd6-36
0.692
MAR-TRE-1c920f6f-57
0.613
MAR-TRE-1c920f6f-37
0.598
MAR-TRE-14ce9fd6-67
0.591
MAR-TRE-1c920f6f-21
0.585
MAR-TRE-1c920f6f-12
0.576
MAR-TRE-1c920f6f-41
0.561
MAR-TRE-1c920f6f-60
0.561
MAR-TRE-0fda4e82-43
0.560
MAR-TRE-14ce9fd6-71
0.554
MAR-TRE-1c920f6f-45
0.553
MAR-TRE-0fda4e82-18
0.535
PRO-INS-c91ddbbd-1
0.528
MAR-TRE-a3327163-34
0.494
MAR-TRE-1c920f6f-32
0.488
MAR-TRE-0fda4e82-61
0.479
MAR-TRE-0fda4e82-75
0.460
MAR-TRE-1c920f6f-5
0.443
MAR-TRE-1c920f6f-8
0.443
MAR-TRE-a3327163-27
0.439
MAR-TRE-a3327163-20
0.344
MAR-TRE-f5c2d31c-71
0.333
MAR-TRE-1c920f6f-69
0.330
MAR-TRE-a3327163-35
0.326
MAR-TRE-f5c2d31c-32
0.324
MAR-TRE-0fda4e82-38
0.323
MAR-TRE-a3327163-61
0.308
MAR-TRE-6c5ef77a-22
0.301
MAR-TRE-14ce9fd6-45
0.301
MAR-TRE-14ce9fd6-82
0.292
MAR-TRE-a3327163-29
0.290
MAR-TRE-1c920f6f-58
0.288
MAR-TRE-a3327163-71
0.284
MAR-TRE-a3327163-50
0.283
MAR-TRE-6c5ef77a-20
0.281
MAR-TRE-a3327163-46
0.278
MAR-TRE-a3327163-15
0.277
MAR-TRE-6c5ef77a-26
0.271
MAR-TRE-6c5ef77a-96
0.270
MAR-TRE-36bf7dba-28
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MAR-TRE-a3327163-43
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MAR-TRE-6c5ef77a-14
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MAR-TRE-a3327163-2
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MAR-TRE-14ce9fd6-1
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MAR-TRE-6c5ef77a-33
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MAR-TRE-74c6519b-44
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MAR-TRE-dab8f6ea-47
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MAR-TRE-f5c2d31c-21
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MAR-TRE-14ce9fd6-29
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MAR-TRE-1c920f6f-42
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MAR-TRE-14ce9fd6-69
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MAR-TRE-a3327163-80
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MAR-TRE-1c920f6f-74
0.258
MAR-TRE-0fda4e82-63
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MAR-TRE-6c5ef77a-67
0.255
MAR-TRE-1c920f6f-100
0.255
MAR-TRE-14ce9fd6-3
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MAR-TRE-1c920f6f-3
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MAR-TRE-1c920f6f-47
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MAR-TRE-0fda4e82-47
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MAR-TRE-1c920f6f-20
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MAR-TRE-14ce9fd6-27
0.253
MAR-TRE-6c5ef77a-66
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MAR-TRE-6c5ef77a-29
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MAR-TRE-1c920f6f-75
0.250
MAR-TRE-1c920f6f-26
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MAR-TRE-1c920f6f-49
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MAR-TRE-6c5ef77a-51
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MAR-TRE-1c920f6f-30
0.245
MAR-TRE-1c920f6f-1
0.243
MAR-TRE-f5c2d31c-6
0.243
MAR-TRE-6c5ef77a-45
0.243
MAR-TRE-0fda4e82-72
0.243
MAR-TRE-6c5ef77a-47
0.243
MAR-TRE-d0525fbf-93
0.243
MAR-TRE-6c5ef77a-46
0.242
MAR-TRE-a3327163-88
0.242
MAR-TRE-14ce9fd6-43
0.242
MAR-TRE-f5c2d31c-67
0.242
MAR-TRE-f5c2d31c-10
0.242
MAR-TRE-0fda4e82-36
0.241
MAR-TRE-6c5ef77a-35
0.240
MAR-TRE-1c920f6f-44
0.240
MAR-TRE-0fda4e82-76
0.240
MAR-TRE-0fda4e82-6
0.240
MAR-TRE-14ce9fd6-56
0.239
MAR-TRE-14ce9fd6-6
0.239
MAR-TRE-6c5ef77a-64
0.238
MAR-TRE-0fda4e82-89
0.238
MAR-TRE-0fda4e82-1
0.238
WAR-XCH-bdd24732-24
0.237
MAR-TRE-1c920f6f-95
0.235
MAR-TRE-0fda4e82-90
0.235
MAR-TRE-a3327163-42
0.234
MAR-TRE-14ce9fd6-37
0.233
MAR-TRE-6c5ef77a-68
0.233