Molecular Properties | |
SMILES: | N#Cc1cc2c(nc1SCC(=O)O)CCCC2 |
MW: | 248.06 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.98 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4217397425 |
MolPort: | MolPort-000-921-595 |
MAR-TRE-1c920f6f-25
0.772
MAR-TRE-14ce9fd6-20
0.772
MAR-TRE-14ce9fd6-22
0.689
MAR-TRE-1c920f6f-17
0.688
MAR-TRE-1c920f6f-38
0.639
MAR-TRE-14ce9fd6-96
0.633
MAR-TRE-14ce9fd6-79
0.623
MAR-TRE-1c920f6f-56
0.618
MAR-TRE-1c920f6f-15
0.618
MAR-TRE-14ce9fd6-7
0.608
MAR-TRE-14ce9fd6-81
0.603
MAR-TRE-0fda4e82-36
0.600
MAR-TRE-1c920f6f-11
0.600
MAR-TRE-14ce9fd6-11
0.591
MAR-TRE-14ce9fd6-14
0.588
MAR-TRE-14ce9fd6-76
0.587
MAR-TRE-1c920f6f-1
0.566
MAR-TRE-1c920f6f-58
0.558
MAR-TRE-0fda4e82-13
0.557
MAR-TRE-14ce9fd6-6
0.551
MAR-TRE-1c920f6f-19
0.526
MAR-TRE-14ce9fd6-5
0.522
MAR-TRE-14ce9fd6-92
0.516
MAR-TRE-14ce9fd6-75
0.508
MAR-TRE-0fda4e82-68
0.506
MAR-TRE-14ce9fd6-12
0.500
MAR-TRE-14ce9fd6-91
0.500
MAR-TRE-14ce9fd6-80
0.493
MAR-TRE-14ce9fd6-46
0.479
MAR-TRE-14ce9fd6-42
0.474
MAR-TRE-14ce9fd6-18
0.458
MAR-TRE-14ce9fd6-93
0.444
MAR-TRE-a3327163-24
0.426
MAR-TRE-6c5ef77a-48
0.418
MAR-TRE-6c5ef77a-27
0.418
MAR-TRE-14ce9fd6-90
0.407
MAR-TRE-14ce9fd6-40
0.402
MAR-TRE-1c920f6f-16
0.387
MAR-TRE-1c920f6f-13
0.372
MAR-TRE-6c5ef77a-18
0.338
MAR-TRE-1c920f6f-68
0.333
MAR-TRE-4f781e27-98
0.326
MAR-TRE-14ce9fd6-15
0.325
MAR-TRE-0fda4e82-46
0.307
MAR-TRE-0fda4e82-21
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MAR-TRE-6c5ef77a-31
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MAR-TRE-a3327163-11
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MAR-TRE-a3327163-37
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MAR-TRE-1c920f6f-85
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MAR-TRE-a3327163-82
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MAR-TRE-0fda4e82-30
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MAR-TRE-14ce9fd6-4
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MAR-TRE-14ce9fd6-70
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MAR-TRE-1c920f6f-96
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MAR-TRE-6c5ef77a-71
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MAR-TRE-a3327163-21
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MAR-TRE-0fda4e82-84
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MAR-TRE-1c920f6f-100
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MAR-TRE-d0525fbf-93
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MAR-TRE-14ce9fd6-50
0.266
MAR-TRE-0fda4e82-6
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MAR-TRE-fd17a9b8-23
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MAR-TRE-14ce9fd6-65
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MAR-TRE-14ce9fd6-86
0.260
MAR-TRE-1c920f6f-95
0.258
MAR-TRE-a3327163-71
0.258
MAR-TRE-0fda4e82-31
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MAR-TRE-6c5ef77a-68
0.256
MAR-TRE-a3327163-1
0.253
MAR-TRE-1c920f6f-20
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MAR-TRE-6c5ef77a-8
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MAR-TRE-a3327163-8
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MAR-TRE-a3327163-25
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MAR-TRE-1c920f6f-29
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MAR-TRE-1c920f6f-94
0.250
MAR-TRE-0fda4e82-42
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MAR-TRE-0fda4e82-82
0.250
MAR-TRE-a3327163-29
0.247
MAR-TRE-6c5ef77a-5
0.247
MAR-TRE-14ce9fd6-1
0.247
MAR-TRE-1c920f6f-82
0.244
MAR-TRE-6c5ef77a-9
0.244
MAR-TRE-14ce9fd6-48
0.244
MAR-TRE-0fda4e82-63
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MAR-TRE-1c920f6f-49
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MAR-TRE-a3327163-80
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MAR-TRE-1c920f6f-74
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MAR-TRE-1c920f6f-81
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MAR-TRE-1c920f6f-42
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MAR-TRE-a3327163-6
0.241
MAR-TRE-0fda4e82-53
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MAR-TRE-6c5ef77a-89
0.239
MAR-TRE-0fda4e82-8
0.239
MAR-TRE-a3327163-88
0.239
MAR-TRE-1c920f6f-10
0.238
MAR-TRE-14ce9fd6-21
0.238
MAR-TRE-1c920f6f-12
0.237
MAR-TRE-6c5ef77a-14
0.236
MAR-TRE-14ce9fd6-35
0.235
MAR-TRE-1c920f6f-53
0.235