Molecular Properties | |
SMILES: | N#Cc1c(NC(=O)CSc2ncn(-c3ccccc3)n2)sc2c1CCCC2 |
MW: | 395.09 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 83.6 |
cLogP: | 3.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7925576360 |
MolPort: | MolPort-002-265-970 |
MAR-TRE-1c920f6f-46
0.635
MAR-TRE-1c920f6f-7
0.591
MAR-TRE-1c920f6f-21
0.560
MAR-TRE-1c920f6f-51
0.554
MAR-TRE-0fda4e82-20
0.551
MAR-TRE-14ce9fd6-36
0.548
MAR-TRE-1c920f6f-4
0.542
MAR-TRE-1c920f6f-12
0.537
MAR-TRE-1c920f6f-41
0.522
MAR-TRE-1c920f6f-60
0.522
MAR-TRE-0fda4e82-43
0.521
MAR-TRE-1c920f6f-45
0.516
MAR-TRE-0fda4e82-18
0.500
MAR-TRE-1c920f6f-37
0.490
PRO-INS-c91ddbbd-1
0.488
MAR-TRE-1c920f6f-57
0.484
MAR-TRE-0fda4e82-61
0.467
MAR-TRE-1c920f6f-32
0.458
AAR-UNI-c25c2f1e-55
0.443
MAR-TRE-14ce9fd6-71
0.443
MAR-TRE-0fda4e82-75
0.433
MAR-TRE-1c920f6f-5
0.407
MAR-TRE-a3327163-27
0.404
MAR-TRE-1c920f6f-8
0.390
MAR-TRE-f5c2d31c-32
0.371
MAR-TRE-f5c2d31c-71
0.322
MAR-TRE-a3327163-34
0.311
MAR-TRE-a3327163-46
0.295
MAR-TRE-0fda4e82-38
0.288
MAR-TRE-a3327163-35
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MAR-TRE-a3327163-20
0.279
MAR-TRE-14ce9fd6-45
0.279
MAR-TRE-a3327163-71
0.277
MAR-TRE-1c920f6f-62
0.274
MAR-TRE-14ce9fd6-82
0.271
MAR-TRE-a3327163-61
0.260
MAR-TRE-0fda4e82-1
0.257
MAR-TRE-6c5ef77a-22
0.255
MAR-TRE-1c920f6f-69
0.255
MAR-TRE-f5c2d31c-21
0.255
MAR-TRE-b77b7921-18
0.254
MAR-TRE-1c920f6f-42
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MAR-TRE-1c920f6f-74
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MAR-TRE-14ce9fd6-69
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MAR-TRE-a3327163-50
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MAR-TRE-a3327163-2
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MAR-TRE-6c5ef77a-45
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MAR-TRE-1c920f6f-100
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MAR-TRE-6c5ef77a-20
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MAR-TRE-6c5ef77a-35
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MAR-TRE-1c920f6f-20
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MAR-TRE-14ce9fd6-27
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MAR-TRE-a3327163-43
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MAR-TRE-a3327163-30
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MAR-TRE-6c5ef77a-29
0.235
MAR-TRE-a3327163-15
0.234
MAR-TRE-a3327163-29
0.234
MAR-TRE-1c920f6f-75
0.233
MAR-TRE-1c920f6f-26
0.232
MAR-TRE-1c920f6f-30
0.230
MAR-TRE-6c5ef77a-96
0.230
MAR-TRE-0fda4e82-63
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MAR-TRE-6c5ef77a-26
0.229
MAR-TRE-6c5ef77a-74
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MAR-TRE-6c5ef77a-47
0.228
MAR-TRE-f5c2d31c-64
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MAR-TRE-f5c2d31c-6
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MAR-TRE-fd17a9b8-51
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MAR-TRE-6c5ef77a-67
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MAR-TRE-a3327163-88
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MAR-TRE-1c920f6f-58
0.227
MAR-TRE-a3327163-66
0.226
MAR-TRE-a3327163-82
0.225
MAR-TRE-74c6519b-44
0.225
MAT-POS-af71705c-2
0.225
MAR-TRE-1c920f6f-3
0.224
MAR-TRE-1c920f6f-47
0.224
AAR-UNI-c25c2f1e-42
0.224
MAR-TRE-6c5ef77a-33
0.223
MAR-TRE-4f781e27-98
0.223
WAR-XCH-bdd24732-24
0.222
MAR-TRE-a3327163-18
0.222
MAR-TRE-6c5ef77a-66
0.222
MAR-TRE-14ce9fd6-56
0.222
MAR-TRE-1c920f6f-95
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MAR-TRE-2fd8122f-47
0.221
MAR-TRE-0fda4e82-81
0.221
MAR-TRE-0fda4e82-14
0.221
MAR-TRE-f5c2d31c-76
0.220
WAR-XCH-bdd24732-30
0.219
MAR-TRE-6c5ef77a-51
0.219
MAR-TRE-a3327163-36
0.219
MAR-TRE-1c920f6f-49
0.219
MAR-TRE-a3327163-42
0.219
MAR-TRE-6c5ef77a-17
0.218
MAR-TRE-14ce9fd6-7
0.218
MAR-TRE-1c920f6f-81
0.218
MAR-TRE-a3327163-80
0.218
BEN-BAS-2a1e3b25-1
0.218
MAR-TRE-0fda4e82-72
0.217