Molecular Properties | |
SMILES: | COCc1cc(C)nc(SCc2ccc(Cl)cc2)c1C#N |
MW: | 318.06 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 45.91 |
cLogP: | 4.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3866926869 |
MolPort: | MolPort-002-190-843 |
MAR-TRE-1c920f6f-14
0.730
MAR-TRE-0fda4e82-69
0.569
MAR-TRE-6c5ef77a-18
0.544
MAR-TRE-6c5ef77a-60
0.524
MAR-TRE-a3327163-72
0.494
MAR-TRE-6c5ef77a-5
0.493
MAR-TRE-6c5ef77a-9
0.487
MAR-TRE-14ce9fd6-77
0.479
MAR-TRE-6c5ef77a-17
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MAR-TRE-a3327163-30
0.470
MAR-TRE-6c5ef77a-32
0.452
MAR-TRE-a3327163-18
0.447
MAR-TRE-0fda4e82-8
0.446
MAR-TRE-6c5ef77a-28
0.446
MAR-TRE-0fda4e82-42
0.440
MAR-TRE-6c5ef77a-29
0.435
MAR-TRE-14ce9fd6-50
0.432
MAR-TRE-0fda4e82-53
0.420
MAR-TRE-14ce9fd6-57
0.403
MAR-TRE-14ce9fd6-23
0.383
MAR-TRE-14ce9fd6-65
0.378
MAR-TRE-a3327163-90
0.310
MAT-POS-b5746674-117
0.302
MAR-TRE-14ce9fd6-48
0.299
MAR-TRE-1c920f6f-81
0.295
MAR-TRE-a3327163-8
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MAR-TRE-1c920f6f-94
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MAR-TRE-1c920f6f-53
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MAR-TRE-0fda4e82-30
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MAR-TRE-14ce9fd6-41
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MAR-TRE-a3327163-21
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MAR-TRE-a3327163-88
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MAR-TRE-a3327163-25
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MAT-POS-ea426761-10
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LON-WEI-5e7d1b3e-68
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LON-WEI-4d77710c-68
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MAR-TRE-a3327163-41
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MAR-TRE-1c920f6f-70
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MAR-TRE-a3327163-67
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MAR-TRE-a3327163-6
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MAR-TRE-6c5ef77a-74
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MAR-TRE-a3327163-79
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MAR-TRE-1c920f6f-100
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MAR-TRE-1c920f6f-29
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MAR-TRE-14ce9fd6-47
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MAR-TRE-1c920f6f-20
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MAR-TRE-a3327163-11
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MAR-TRE-1c920f6f-86
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MAR-TRE-14ce9fd6-18
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MAR-TRE-14ce9fd6-9
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MAR-TRE-a3327163-29
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MAR-TRE-14ce9fd6-55
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MAR-TRE-14ce9fd6-52
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MAR-TRE-1c920f6f-95
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MAR-TRE-0fda4e82-12
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MAR-TRE-a3327163-24
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MAR-TRE-a3327163-80
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MAR-TRE-14ce9fd6-12
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MAR-TRE-a3327163-17
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MAR-TRE-a3327163-60
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MAR-TRE-14ce9fd6-90
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MAR-TRE-a3327163-37
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MAR-TRE-0fda4e82-82
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MAR-TRE-14ce9fd6-35
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MAR-TRE-14ce9fd6-93
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MAR-TRE-14ce9fd6-53
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MAR-TRE-1c920f6f-61
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MAR-TRE-1c920f6f-31
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MAR-TRE-a3327163-31
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MAR-TRE-6c5ef77a-94
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MAR-TRE-14ce9fd6-58
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MAR-TRE-14ce9fd6-73
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MAR-TRE-6c5ef77a-47
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MAR-TRE-f5c2d31c-6
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MAR-TRE-6c5ef77a-85
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MAR-TRE-1c920f6f-28
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MAR-TRE-14ce9fd6-44
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LON-WEI-5e7d1b3e-73
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LON-WEI-4d77710c-73
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MAR-TRE-6c5ef77a-70
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MAR-TRE-14ce9fd6-29
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MAR-TRE-0fda4e82-59
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MAR-TRE-a3327163-38
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MAR-TRE-14ce9fd6-33
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MAR-TRE-14ce9fd6-38
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MAR-TRE-0fda4e82-19
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MAR-TRE-1c920f6f-36
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MAR-TRE-0fda4e82-10
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MAR-TRE-6c5ef77a-48
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MAR-TRE-1c920f6f-96
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MAR-TRE-6c5ef77a-31
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MAR-TRE-1c920f6f-39
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MAR-TRE-a3327163-89
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MAR-TRE-14ce9fd6-83
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MAR-TRE-14ce9fd6-86
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MAR-TRE-6c5ef77a-24
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MAR-TRE-a3327163-33
0.211
MAR-TRE-6c5ef77a-71
0.211
MAR-TRE-0fda4e82-79
0.211
MAR-TRE-14ce9fd6-70
0.209