Molecular Properties | |
SMILES: | N#Cc1ccc(-c2ccccc2)nc1SCc1ccc(C(=O)O)cc1 |
MW: | 346.08 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 73.98 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9087892304 |
MolPort: | MolPort-000-919-174 |
MAR-TRE-14ce9fd6-65
0.609
MAR-TRE-14ce9fd6-50
0.486
MAR-TRE-14ce9fd6-83
0.407
MAR-TRE-a3327163-5
0.398
MAR-TRE-fd17a9b8-23
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MAR-TRE-14ce9fd6-41
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MAR-TRE-a3327163-24
0.343
MAR-TRE-1c920f6f-14
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MAR-TRE-14ce9fd6-73
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MAR-TRE-a3327163-37
0.319
MAR-TRE-0fda4e82-63
0.319
MAR-TRE-14ce9fd6-4
0.312
MAR-TRE-14ce9fd6-77
0.309
MAR-TRE-14ce9fd6-12
0.307
MAR-TRE-0fda4e82-23
0.299
MAR-TRE-0fda4e82-82
0.287
MAR-TRE-14ce9fd6-18
0.287
MAR-TRE-14ce9fd6-34
0.286
MAR-TRE-1c920f6f-96
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MAT-POS-b5746674-123
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MAR-TRE-0fda4e82-12
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MAR-TRE-14ce9fd6-42
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MAR-TRE-14ce9fd6-93
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MAR-TRE-1c920f6f-81
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MAR-TRE-a3327163-76
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MAR-TRE-14ce9fd6-63
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MAR-TRE-14ce9fd6-47
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MAR-TRE-1c920f6f-86
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MAR-TRE-14ce9fd6-23
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MAR-TRE-a3327163-30
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NAU-LAT-ec9c7557-6
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MAR-TRE-1c920f6f-73
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MAR-TRE-14ce9fd6-57
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MAR-TRE-0fda4e82-40
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MAT-POS-b5746674-124
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MAR-TRE-1c920f6f-42
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MAR-TRE-a3327163-36
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MAR-TRE-14ce9fd6-44
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UNK-CYC-68f84b31-75
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MAR-TRE-14ce9fd6-90
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MAR-TRE-0fda4e82-84
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MAR-TRE-6c5ef77a-18
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MAR-TRE-14ce9fd6-84
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MAR-TRE-f5c2d31c-55
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MAR-TRE-1c920f6f-15
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MAR-TRE-14ce9fd6-19
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MAR-TRE-6c5ef77a-48
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MAR-TRE-14ce9fd6-62
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MAR-TRE-0fda4e82-1
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MAR-TRE-74c6519b-23
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MAR-TRE-14ce9fd6-13
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MAR-TRE-1c920f6f-25
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MAR-TRE-14ce9fd6-52
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MAR-TRE-14ce9fd6-55
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MAR-TRE-0fda4e82-24
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MAR-TRE-1c920f6f-82
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MAR-TRE-1c920f6f-61
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MAR-TRE-1c920f6f-70
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MAR-TRE-f5c2d31c-32
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MAR-TRE-14ce9fd6-86
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MAR-TRE-1c920f6f-17
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MAR-TRE-14ce9fd6-14
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MAK-UNK-be3f299e-2
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MAR-TRE-6c5ef77a-71
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MAR-TRE-14ce9fd6-22
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MAK-UNK-9955b1f3-12
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MAR-TRE-14ce9fd6-70
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MAR-TRE-0fda4e82-72
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MAR-LAB-efb042c5-6
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MAR-TRE-14ce9fd6-29
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MAR-TRE-1c920f6f-10
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MAR-TRE-fd17a9b8-91
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MAR-TRE-0fda4e82-76
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MAR-TRE-1c920f6f-56
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MAR-TRE-6c5ef77a-14
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MAR-TRE-1c920f6f-29
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MAR-TRE-14ce9fd6-35
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MAK-UNK-f983951f-22
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MAR-TRE-4f781e27-98
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SUN-WAB-e274cdaf-1
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RAL-THA-2d450e86-5
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MAR-TRE-a3327163-15
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MAR-TRE-14ce9fd6-15
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MAR-TRE-6c5ef77a-93
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MAR-TRE-0fda4e82-21
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MAR-TRE-0fda4e82-10
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COM-UCB-1ef4e90e-20
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MAK-UNK-849bee6c-6
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MAR-TRE-0fda4e82-77
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MAR-TRE-14ce9fd6-20
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MAR-TRE-1c920f6f-11
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MAR-TRE-6c5ef77a-31
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MAR-TRE-0fda4e82-25
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MAR-TRE-14ce9fd6-8
0.226
UNK-CYC-68f84b31-36
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MAR-TRE-1c920f6f-55
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MAR-TRE-14ce9fd6-5
0.225
MAR-TRE-0fda4e82-93
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