Molecular Properties | |
SMILES: | CCC(C)N(CC(=O)OC)C(=O)c1cccc(-n2ncc(C#N)c2N)c1 |
MW: | 355.16 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 114.24 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
aniline
Ester
Long aliphatic chain
UNK-CYC-68f84b31-12
0.646
UNK-CYC-68f84b31-26
0.547
UNK-CYC-68f84b31-59
0.516
UNK-CYC-68f84b31-79
0.511
UNK-CYC-68f84b31-15
0.500
UNK-CYC-68f84b31-48
0.495
UNK-CYC-68f84b31-6
0.480
UNK-CYC-68f84b31-14
0.479
UNK-CYC-68f84b31-54
0.478
UNK-CYC-68f84b31-47
0.465
UNK-CYC-68f84b31-52
0.448
UNK-CYC-68f84b31-39
0.446
UNK-CYC-68f84b31-58
0.446
UNK-CYC-68f84b31-29
0.446
UNK-CYC-68f84b31-9
0.446
UNK-CYC-68f84b31-10
0.441
UNK-CYC-68f84b31-71
0.434
UNK-CYC-68f84b31-28
0.434
UNK-CYC-68f84b31-11
0.432
UNK-CYC-68f84b31-3
0.430
UNK-CYC-68f84b31-44
0.418
UNK-CYC-68f84b31-8
0.418
UNK-CYC-68f84b31-30
0.417
UNK-CYC-68f84b31-27
0.411
UNK-CYC-68f84b31-55
0.411
UNK-CYC-68f84b31-31
0.337
UNK-CYC-68f84b31-83
0.324
UNK-CYC-68f84b31-81
0.301
UNK-CYC-68f84b31-24
0.288
UNK-CYC-68f84b31-80
0.286
UNK-CYC-68f84b31-62
0.282
UNK-CYC-68f84b31-68
0.279
UNK-CYC-68f84b31-34
0.279
UNK-CYC-68f84b31-60
0.276
UNK-CYC-68f84b31-46
0.274
UNK-CYC-68f84b31-73
0.271
UNK-CYC-68f84b31-51
0.267
UNK-CYC-68f84b31-65
0.267
BAR-COM-4e090d3a-14
0.264
UNK-CYC-68f84b31-64
0.259
UNK-CYC-68f84b31-78
0.256
MAT-POS-b5746674-123
0.255
MAR-TRE-0fda4e82-88
0.253
UNK-CYC-68f84b31-32
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UNK-CYC-68f84b31-90
0.250
UNK-CYC-68f84b31-41
0.250
UNK-CYC-68f84b31-45
0.250
UNK-CYC-68f84b31-53
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UNK-CYC-68f84b31-43
0.241
MAR-TRE-be9ff7d2-3
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UNK-CYC-68f84b31-49
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MAK-UNK-9955b1f3-10
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MAR-TRE-9d18ae8c-80
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UNK-CYC-68f84b31-74
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MAR-TRE-799db12b-75
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MAR-TRE-0fda4e82-13
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UNK-CYC-68f84b31-42
0.233
GAB-REV-df64cf17-1
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MAR-TRE-1c920f6f-90
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MAR-TRE-0fda4e82-6
0.230
MAR-TRE-6c5ef77a-33
0.229
UNK-CYC-68f84b31-66
0.229
MAT-POS-b5746674-124
0.226
MAR-TRE-1c920f6f-11
0.226
MAR-TRE-1c920f6f-13
0.225
UNK-CYC-68f84b31-19
0.225
WIL-UNI-0732ac76-1
0.225
ALP-POS-02c6a514-33
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MAR-TRE-1c920f6f-17
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MAR-TRE-799db12b-87
0.223
MAR-TRE-0fda4e82-68
0.223
MAR-TRE-0fda4e82-36
0.221
MAR-TRE-9d18ae8c-17
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NIR-THE-ed286faa-2
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UNK-UNK-2ede4078-55
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MAR-TRE-1c920f6f-68
0.220
UNK-CYC-68f84b31-70
0.219
TRY-UNI-714a760b-21
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MAR-TRE-4f781e27-47
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MAR-TRE-a9136c7b-12
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MAR-TRE-1c920f6f-15
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MAR-TRE-a9136c7b-78
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MAR-TRE-6c5ef77a-23
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MAR-TRE-0fda4e82-80
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MAR-TRE-a3327163-5
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PET-SGC-708ec5d8-1
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AAR-UNI-c25c2f1e-103
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MAR-TRE-87acfbcc-68
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MAR-TRE-92684b97-68
0.217
MAR-TRE-0fda4e82-10
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MAR-TRE-6c5ef77a-81
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MAR-TRE-a3327163-7
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MAR-TRE-1c920f6f-96
0.215
UNK-CYC-68f84b31-75
0.214
MAR-TRE-92684b97-82
0.214
AAR-UNI-c25c2f1e-25
0.213
ROB-UNI-b2e39629-8
0.213
ALP-POS-780445ae-6
0.213
MAR-TRE-8a25d817-18
0.212
MAR-TRE-66ac689e-45
0.212