Molecular Properties | |
SMILES: | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 |
MW: | 407.12 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.9 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Ester
UNK-CYC-68f84b31-60
0.667
UNK-CYC-68f84b31-81
0.576
UNK-CYC-68f84b31-80
0.550
UNK-CYC-68f84b31-34
0.548
UNK-CYC-68f84b31-83
0.546
UNK-CYC-68f84b31-62
0.520
UNK-CYC-68f84b31-65
0.516
UNK-CYC-68f84b31-68
0.515
UNK-CYC-68f84b31-41
0.510
UNK-CYC-68f84b31-45
0.505
UNK-CYC-68f84b31-64
0.485
UNK-CYC-68f84b31-74
0.476
UNK-CYC-68f84b31-70
0.471
UNK-CYC-68f84b31-4
0.464
UNK-CYC-68f84b31-53
0.453
UNK-CYC-68f84b31-73
0.425
UNK-CYC-68f84b31-90
0.418
UNK-CYC-68f84b31-79
0.413
UNK-CYC-68f84b31-31
0.404
UNK-CYC-68f84b31-51
0.393
UNK-CYC-68f84b31-43
0.389
UNK-CYC-68f84b31-19
0.387
UNK-CYC-68f84b31-46
0.379
UNK-CYC-68f84b31-32
0.364
UNK-CYC-68f84b31-24
0.358
UNK-CYC-68f84b31-15
0.349
UNK-CYC-68f84b31-17
0.348
MAR-TRE-87acfbcc-99
0.337
UNK-CYC-68f84b31-10
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UNK-CYC-68f84b31-13
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MAR-TRE-a9136c7b-22
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UNK-CYC-68f84b31-30
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UNK-CYC-68f84b31-26
0.309
UNK-CYC-68f84b31-9
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UNK-CYC-68f84b31-48
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MAR-TRE-8190bb11-70
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UNK-CYC-68f84b31-58
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UNK-CYC-68f84b31-3
0.294
MAR-TRE-4f781e27-5
0.289
UNK-CYC-68f84b31-54
0.286
UNK-CYC-68f84b31-59
0.284
MAR-TRE-799db12b-12
0.283
UNK-CYC-68f84b31-14
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MAR-TRE-4f781e27-27
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UNK-CYC-68f84b31-55
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MAR-TRE-87acfbcc-63
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MAR-TRE-4f781e27-69
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MAR-TRE-4f39ef4a-83
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UNK-CYC-68f84b31-6
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MAR-TRE-4f781e27-26
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MAR-TRE-4f39ef4a-15
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MAR-TRE-c317dd82-38
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MAR-TRE-aca67d11-15
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MAR-TRE-e86a56b5-73
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UNK-CYC-68f84b31-71
0.264
UNK-CYC-68f84b31-39
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UNK-CYC-68f84b31-52
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UNK-CYC-68f84b31-61
0.256
UNK-CYC-68f84b31-29
0.256
UNK-CYC-68f84b31-8
0.250
MAR-TRE-4f781e27-56
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UNK-CYC-68f84b31-28
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MAR-TRE-4f39ef4a-54
0.243
UNK-CYC-68f84b31-47
0.242
BAR-COM-4e090d3a-2
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UNK-CYC-68f84b31-44
0.240
MAR-TRE-e82e6c98-71
0.238
UNK-CYC-68f84b31-12
0.237
UNK-CYC-68f84b31-11
0.235
MAR-TRE-799db12b-75
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MAR-TRE-4f781e27-45
0.231
MAR-TRE-66ac689e-81
0.231
MAR-TRE-e82e6c98-34
0.229
MAR-TRE-66ac689e-48
0.229
MAR-TRE-66ac689e-84
0.229
ALP-POS-42f3de95-2
0.229
MAR-TRE-85681e92-51
0.225
BEN-VAN-5787f7d3-5
0.224
MAR-TRE-66ac689e-45
0.223
MAR-TRE-4f781e27-71
0.223
BRU-THA-92256091-55
0.222
MAR-TRE-4f781e27-14
0.222
MAR-TRE-799db12b-45
0.222
MAR-TRE-799db12b-49
0.222
MAR-TRE-799db12b-19
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MAR-TRE-66ac689e-87
0.221
MAR-TRE-4f39ef4a-76
0.221
MAR-TRE-8190bb11-10
0.220
UNK-CYC-68f84b31-40
0.220
UNK-CYC-68f84b31-49
0.219
MAR-TRE-e86a56b5-41
0.218
UNK-CYC-68f84b31-27
0.218
MAR-TRE-8190bb11-76
0.217
MAR-TRE-92684b97-98
0.217
MAR-TRE-e86a56b5-55
0.217
MAR-TRE-9d18ae8c-85
0.217
MAR-TRE-be9ff7d2-97
0.216
MAR-TRE-a9136c7b-70
0.216
WIL-UNI-354943b6-12
0.216
MAR-TRE-be9ff7d2-47
0.216