Molecular Properties | |
SMILES: | COCc1cc(C)nc(SCC(=O)NC2CCCCC2C)c1C#N |
MW: | 347.17 |
Fraction sp3: | 0.61 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.01 |
cLogP: | 3.2 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1301551634 |
MolPort: | MolPort-001-630-265 |
MAR-TRE-0fda4e82-42
0.718
MAR-TRE-6c5ef77a-9
0.595
MAR-TRE-6c5ef77a-18
0.595
MAR-TRE-6c5ef77a-28
0.547
MAR-TRE-6c5ef77a-29
0.534
MAR-TRE-6c5ef77a-32
0.534
MAR-TRE-a3327163-30
0.534
MAR-TRE-0fda4e82-8
0.529
MAR-TRE-a3327163-18
0.528
MAR-TRE-6c5ef77a-5
0.524
MAR-TRE-6c5ef77a-17
0.516
MAR-TRE-0fda4e82-69
0.494
MAR-TRE-1c920f6f-14
0.435
MAR-TRE-6c5ef77a-60
0.434
MAR-TRE-0fda4e82-23
0.420
MAR-TRE-a3327163-72
0.407
MAR-TRE-a3327163-8
0.352
MAR-TRE-a3327163-11
0.348
MAR-TRE-a3327163-88
0.347
MAR-TRE-1c920f6f-100
0.333
MAR-TRE-a3327163-29
0.330
MAR-TRE-a3327163-6
0.326
MAR-TRE-1c920f6f-95
0.323
MAR-TRE-a3327163-80
0.323
MAR-TRE-1c920f6f-81
0.323
MAR-TRE-0fda4e82-30
0.321
MAR-TRE-1c920f6f-20
0.316
MAR-TRE-14ce9fd6-1
0.316
MAR-TRE-a3327163-21
0.311
MAR-TRE-a3327163-25
0.308
MAR-TRE-1c920f6f-94
0.305
MAR-TRE-fd17a9b8-23
0.303
MAR-TRE-0fda4e82-2
0.300
MAR-TRE-1c920f6f-53
0.292
MAR-TRE-0fda4e82-13
0.280
MAR-TRE-1c920f6f-29
0.278
MAR-TRE-a3327163-24
0.277
MAR-TRE-0fda4e82-59
0.274
MAR-TRE-0fda4e82-19
0.270
MAR-TRE-14ce9fd6-77
0.269
MAR-TRE-6c5ef77a-48
0.267
MAR-TRE-14ce9fd6-50
0.266
MAR-TRE-0fda4e82-82
0.265
MAR-TRE-74c6519b-44
0.261
MAR-TRE-14ce9fd6-2
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MAR-TRE-1c920f6f-13
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MAR-TRE-1c920f6f-11
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MAR-TRE-a3327163-37
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MAR-TRE-a3327163-60
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MAR-TRE-6c5ef77a-71
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MAR-TRE-6c5ef77a-68
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MAR-TRE-f5c2d31c-6
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MAR-TRE-6c5ef77a-47
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MAR-TRE-0fda4e82-68
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MAR-TRE-0fda4e82-21
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MAR-TRE-a3327163-82
0.252
MAR-TRE-6c5ef77a-31
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MAR-TRE-14ce9fd6-53
0.250
MAR-TRE-a3327163-71
0.248
MAR-TRE-1c920f6f-96
0.248
MAR-TRE-a3327163-41
0.247
MAR-TRE-14ce9fd6-86
0.247
MAR-TRE-0fda4e82-31
0.245
MAR-TRE-6c5ef77a-74
0.245
MAR-TRE-1c920f6f-17
0.245
MAR-TRE-1c920f6f-1
0.243
MAR-TRE-6c5ef77a-3
0.243
MAR-TRE-14ce9fd6-43
0.243
MAR-TRE-0fda4e82-36
0.241
MAR-TRE-1c920f6f-12
0.241
MAR-TRE-6c5ef77a-14
0.240
MAR-TRE-1c920f6f-15
0.240
MAR-TRE-0fda4e82-6
0.240
MAR-TRE-a3327163-10
0.240
MAR-TRE-1c920f6f-38
0.240
MAR-TRE-14ce9fd6-19
0.240
MAR-TRE-1c920f6f-5
0.239
MAR-TRE-a3327163-7
0.239
MAR-TRE-0fda4e82-22
0.239
MAR-TRE-14ce9fd6-23
0.238
MAR-TRE-a3327163-27
0.237
MAR-TRE-1c920f6f-25
0.237
MAR-TRE-14ce9fd6-65
0.237
MAR-TRE-0fda4e82-43
0.236
MAR-TRE-6c5ef77a-27
0.236
MAR-TRE-1c920f6f-70
0.236
MAR-TRE-1c920f6f-19
0.232
MAR-TRE-1c920f6f-41
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MAR-TRE-6c5ef77a-67
0.231
MAR-TRE-a3327163-1
0.231
MAR-TRE-a3327163-79
0.231
MAR-TRE-1c920f6f-58
0.230
MAR-TRE-a3327163-50
0.230
MAR-TRE-1c920f6f-10
0.230
MAR-TRE-a3327163-2
0.229
MAR-TRE-0fda4e82-76
0.229
MAR-TRE-1c920f6f-56
0.229
MAR-TRE-a3327163-61
0.228
MAR-TRE-a3327163-5
0.227
MAR-TRE-a3327163-38
0.227