Molecular Properties | |
SMILES: | N#Cc1cccnc1SCC(=O)NC1CCCCC1 |
MW: | 275.11 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 2.49 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2370805707 |
MolPort: | MolPort-002-313-862 |
MAR-TRE-1c920f6f-42
0.535
MAR-TRE-a3327163-15
0.534
MAR-TRE-1c920f6f-10
0.528
MAR-TRE-1c920f6f-3
0.521
MAR-TRE-1c920f6f-47
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MAR-TRE-6c5ef77a-26
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MAR-TRE-6c5ef77a-66
0.514
MAR-TRE-6c5ef77a-20
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MAR-TRE-6c5ef77a-46
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MAR-TRE-0fda4e82-47
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MAR-TRE-6c5ef77a-14
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MAR-TRE-6c5ef77a-51
0.506
MAR-TRE-0fda4e82-89
0.500
MAR-TRE-6c5ef77a-33
0.500
MAR-TRE-1c920f6f-74
0.500
MAR-TRE-1c920f6f-26
0.494
MAR-TRE-6c5ef77a-67
0.494
MAR-TRE-14ce9fd6-43
0.494
MAR-TRE-0fda4e82-29
0.487
MAR-TRE-1c920f6f-49
0.487
MAR-TRE-1c920f6f-44
0.487
MAR-TRE-0fda4e82-76
0.487
MAR-TRE-14ce9fd6-27
0.487
MAR-TRE-0fda4e82-72
0.481
MAR-TRE-6c5ef77a-64
0.481
MAR-TRE-0fda4e82-90
0.475
MAR-TRE-6c5ef77a-96
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MAR-TRE-1c920f6f-30
0.469
MAR-TRE-14ce9fd6-37
0.469
MAR-TRE-6c5ef77a-58
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MAR-TRE-0fda4e82-42
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MAR-TRE-fd17a9b8-23
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MAR-TRE-1c920f6f-82
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MAR-TRE-6c5ef77a-93
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MAR-TRE-6c5ef77a-55
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MAR-TRE-0fda4e82-2
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MAR-TRE-f5c2d31c-93
0.365
SAD-SAT-edc8a235-1
0.355
MAR-TRE-f6f5f473-15
0.337
GIA-UNK-3f36037a-1
0.333
MAR-TRE-b77b7921-93
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MAR-TRE-f6f5f473-89
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MAR-TRE-3159af1a-49
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MAR-TRE-04c86cea-10
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MAR-TRE-0fda4e82-53
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MAR-TRE-04c86cea-8
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ALE-HEI-f28a35b5-8
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MAR-TRE-6c5ef77a-40
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MAR-TRE-0fda4e82-63
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MAR-TRE-f6f5f473-70
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MAR-TRE-d0525fbf-93
0.304
AAR-POS-d2a4d1df-12
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SAD-SAT-edc8a235-5
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MAR-TRE-74c6519b-71
0.295
MAR-TRE-3159af1a-73
0.293
MAR-TRE-a3327163-24
0.292
MAR-TRE-a3327163-61
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MAR-TRE-f6f5f473-54
0.290
ZAC-WAB-b0242612-1
0.289
AAR-UNI-c25c2f1e-96
0.289
MAR-TRE-3e4e6814-75
0.287
MAR-TRE-74c6519b-48
0.287
MAR-TRE-74c6519b-44
0.283
MAR-TRE-74c6519b-61
0.280
MAR-TRE-b77b7921-13
0.280
GIA-UNK-3f36037a-3
0.280
MAR-TRE-fd17a9b8-96
0.280
AAR-UNI-c25c2f1e-68
0.280
MAR-TRE-a3327163-35
0.279
MAR-TRE-74c6519b-3
0.278
DAR-DIA-03336633-13
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MAR-TRE-a9136c7b-43
0.274
NAM-UNK-f7c77a48-2
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MAR-TRE-1c920f6f-58
0.273
TRY-UNI-714a760b-11
0.272
ALE-HEI-f28a35b5-7
0.272
DAR-DIA-03336633-4
0.271
MAR-TRE-a3327163-37
0.270
DAR-DIA-03336633-7
0.270
MAR-TRE-a3327163-20
0.270
MAR-TRE-a3327163-71
0.268
MAR-TRE-14ce9fd6-36
0.265
SID-ELM-8b394441-2
0.265
SID-ELM-8b394441-4
0.265
MAR-TRE-a3327163-50
0.264
JAN-GHE-76def03c-1
0.264
MAR-TRE-1c920f6f-7
0.263
MAR-TRE-d0525fbf-78
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MAR-TRE-f6f5f473-98
0.263
MAR-TRE-0fda4e82-6
0.261
MAR-TRE-b77b7921-35
0.261
SIM-DEM-2843056b-6
0.260
MAK-UNK-6ca90168-9
0.259
MAR-TRE-1c920f6f-75
0.259
MAR-TRE-a3327163-5
0.258
PET-SGC-a9e9d4f4-1
0.257
KOV-VNK-5e1a909f-37
0.257
MAR-TRE-1c920f6f-13
0.256
WAR-XCH-72a8c209-11
0.255
SIM-DEM-1d7050d3-1
0.255